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/SixPentetWT-9ccbfc87/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SixPentetWT-9ccbfc87/inputs/seq.fa: 1
curr_seq: _UAAAAUAAAAUAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAAAAUAAAAUAAAA
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 15 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: 80
n_atoms_counter: 80
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 15.000000 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/SixPentetWT-9ccbfc87/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SixPentetWT-9ccbfc87/inputs/seq.fa: 1
curr_seq: _UAAAAUAAAAUAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAAAAUAAAAUAAAA
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 15 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: 80
n_atoms_counter: 80
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 15.000000 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/SixPentetWT-9ccbfc87/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SixPentetWT-9ccbfc87/inputs/seq.fa: 1
curr_seq: _UAAAAUAAAAUAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAAAAUAAAAUAAAA
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 15 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: 80
n_atoms_counter: 80
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 15.000000 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/SixPentetWT-9ccbfc87/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SixPentetWT-9ccbfc87/inputs/seq.fa: 1
curr_seq: _UAAAAUAAAAUAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAAAAUAAAAUAAAA
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 15 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: 80
n_atoms_counter: 80
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 15.000000 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/SixPentetWT-9ccbfc87/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SixPentetWT-9ccbfc87/inputs/seq.fa: 1
curr_seq: _UAAAAUAAAAUAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAAAAUAAAAUAAAA
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 15 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: 80
n_atoms_counter: 80
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 15.000000 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/SixPentetWT-9ccbfc87/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SixPentetWT-9ccbfc87/inputs/seq.fa: 1
curr_seq: _UAAAAUAAAAUAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAAAAUAAAAUAAAA
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 15 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: 80
n_atoms_counter: 80
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 15.000000 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/SixPentetWT-9ccbfc87/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SixPentetWT-9ccbfc87/inputs/seq.fa: 1
curr_seq: _UAAAAUAAAAUAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAAAAUAAAAUAAAA
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 15 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: 80
n_atoms_counter: 80
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 15.000000 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/SixPentetWT-9ccbfc87/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SixPentetWT-9ccbfc87/inputs/seq.fa: 1
curr_seq: _UAAAAUAAAAUAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAAAAUAAAAUAAAA
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 15 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: 80
n_atoms_counter: 80
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 15.000000 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/SixPentetWT-9ccbfc87/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SixPentetWT-9ccbfc87/inputs/seq.fa: 1
curr_seq: _UAAAAUAAAAUAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAAAAUAAAAUAAAA
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 15 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: 80
n_atoms_counter: 80
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 15.000000 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/SixPentetWT-9ccbfc87/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SixPentetWT-9ccbfc87/inputs/seq.fa: 1
curr_seq: _UAAAAUAAAAUAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAAAAUAAAAUAAAA
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 15 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: 80
n_atoms_counter: 80
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 15.000000 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: -54.299792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.299792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.299792 (E_RNA)
where:
Base-Base interactions energy: -1.161
where: short stacking energy: -1.161
Base-Backbone interact. energy: -0.000
local terms energy: -53.139004
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -0.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -54.299792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.299792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.299792 (E_RNA)
where:
Base-Base interactions energy: -1.161
where: short stacking energy: -1.161
Base-Backbone interact. energy: -0.000
local terms energy: -53.139004
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -0.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -54.299792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.299792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.299792 (E_RNA)
where:
Base-Base interactions energy: -1.161
where: short stacking energy: -1.161
Base-Backbone interact. energy: -0.000
local terms energy: -53.139004
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -0.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -54.299792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.299792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.299792 (E_RNA)
where:
Base-Base interactions energy: -1.161
where: short stacking energy: -1.161
Base-Backbone interact. energy: -0.000
local terms energy: -53.139004
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -0.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -54.299792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.299792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.299792 (E_RNA)
where:
Base-Base interactions energy: -1.161
where: short stacking energy: -1.161
Base-Backbone interact. energy: -0.000
local terms energy: -53.139004
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -0.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -54.299792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.299792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.299792 (E_RNA)
where:
Base-Base interactions energy: -1.161
where: short stacking energy: -1.161
Base-Backbone interact. energy: -0.000
local terms energy: -53.139004
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -0.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -54.299792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.299792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.299792 (E_RNA)
where:
Base-Base interactions energy: -1.161
where: short stacking energy: -1.161
Base-Backbone interact. energy: -0.000
local terms energy: -53.139004
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -0.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -54.299792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.299792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.299792 (E_RNA)
where:
Base-Base interactions energy: -1.161
where: short stacking energy: -1.161
Base-Backbone interact. energy: -0.000
local terms energy: -53.139004
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -0.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -54.299792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.299792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.299792 (E_RNA)
where:
Base-Base interactions energy: -1.161
where: short stacking energy: -1.161
Base-Backbone interact. energy: -0.000
local terms energy: -53.139004
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -0.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -54.299792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.299792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.299792 (E_RNA)
where:
Base-Base interactions energy: -1.161
where: short stacking energy: -1.161
Base-Backbone interact. energy: -0.000
local terms energy: -53.139004
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -0.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -95.033758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.033758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.033758 (E_RNA)
where:
Base-Base interactions energy: -40.999
where: short stacking energy: -40.999
Base-Backbone interact. energy: -0.000
local terms energy: -54.034732
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -9.834
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -11.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -88.635106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.635106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.635106 (E_RNA)
where:
Base-Base interactions energy: -42.333
where: short stacking energy: -30.852
Base-Backbone interact. energy: -1.008
local terms energy: -45.294501
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -10.358
flat angles C4'-P-C4' energy: -9.703
flat angles P-C4'-P energy: -7.094
tors. eta vs tors. theta energy: -7.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -84.570156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.570156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.570156 (E_RNA)
where:
Base-Base interactions energy: -43.275
where: short stacking energy: -30.615
Base-Backbone interact. energy: -0.037
local terms energy: -41.258231
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -8.497
flat angles C4'-P-C4' energy: -8.043
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -7.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -82.070796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.070796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.070796 (E_RNA)
where:
Base-Base interactions energy: -38.487
where: short stacking energy: -24.585
Base-Backbone interact. energy: -1.141
local terms energy: -42.443439
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -8.998
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -2.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -77.423144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.423144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.423144 (E_RNA)
where:
Base-Base interactions energy: -33.412
where: short stacking energy: -21.511
Base-Backbone interact. energy: -0.008
local terms energy: -44.002417
where:
bonds (distance) C4'-P energy: -9.655
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -6.890
flat angles P-C4'-P energy: -9.914
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: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -83.029273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.029273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.029273 (E_RNA)
where:
Base-Base interactions energy: -36.813
where: short stacking energy: -24.798
Base-Backbone interact. energy: 0.031
local terms energy: -46.247659
where:
bonds (distance) C4'-P energy: -9.751
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -9.170
flat angles P-C4'-P energy: -8.404
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: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -67.585105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.585105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.585105 (E_RNA)
where:
Base-Base interactions energy: -29.301
where: short stacking energy: -20.520
Base-Backbone interact. energy: -0.119
local terms energy: -38.165221
where:
bonds (distance) C4'-P energy: -10.305
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -8.956
flat angles P-C4'-P energy: -5.857
tors. eta vs tors. theta energy: -1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -63.333116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.333116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.333116 (E_RNA)
where:
Base-Base interactions energy: -26.942
where: short stacking energy: -19.024
Base-Backbone interact. energy: 1.743
local terms energy: -38.133824
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -9.996
flat angles C4'-P-C4' energy: -7.495
flat angles P-C4'-P energy: -4.623
tors. eta vs tors. theta energy: -5.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -55.564834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.564834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.564834 (E_RNA)
where:
Base-Base interactions energy: -17.719
where: short stacking energy: -10.481
Base-Backbone interact. energy: -0.273
local terms energy: -37.573717
where:
bonds (distance) C4'-P energy: -9.147
bonds (distance) P-C4' energy: -10.029
flat angles C4'-P-C4' energy: -9.011
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -0.959
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -53.479799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.479799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.479799 (E_RNA)
where:
Base-Base interactions energy: -1.161
where: short stacking energy: -1.161
Base-Backbone interact. energy: -0.000
local terms energy: -52.319006
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -10.428
flat angles P-C4'-P energy: -12.439
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: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -99.972997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.972997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.972997 (E_RNA)
where:
Base-Base interactions energy: -54.739
where: short stacking energy: -32.468
Base-Backbone interact. energy: 0.616
local terms energy: -45.850424
where:
bonds (distance) C4'-P energy: -8.100
bonds (distance) P-C4' energy: -11.624
flat angles C4'-P-C4' energy: -10.903
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: -9.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -97.589815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.589815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.589815 (E_RNA)
where:
Base-Base interactions energy: -53.115
where: short stacking energy: -25.802
Base-Backbone interact. energy: 0.495
local terms energy: -44.969260
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -9.172
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -3.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -79.283700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.283700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.283700 (E_RNA)
where:
Base-Base interactions energy: -33.643
where: short stacking energy: -33.643
Base-Backbone interact. energy: -0.052
local terms energy: -45.588756
where:
bonds (distance) C4'-P energy: -7.892
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -10.363
flat angles P-C4'-P energy: -7.047
tors. eta vs tors. theta energy: -7.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -97.539008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.539008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.539008 (E_RNA)
where:
Base-Base interactions energy: -52.844
where: short stacking energy: -26.559
Base-Backbone interact. energy: -0.542
local terms energy: -44.153744
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -9.707
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -7.516
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: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -73.499600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.499600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.499600 (E_RNA)
where:
Base-Base interactions energy: -34.423
where: short stacking energy: -15.422
Base-Backbone interact. energy: -0.030
local terms energy: -39.046644
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -8.587
flat angles P-C4'-P energy: -5.298
tors. eta vs tors. theta energy: -3.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -67.835144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.835144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.835144 (E_RNA)
where:
Base-Base interactions energy: -26.742
where: short stacking energy: -19.429
Base-Backbone interact. energy: -0.171
local terms energy: -40.921925
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -9.631
flat angles C4'-P-C4' energy: -8.560
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -3.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -56.993442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.993442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.993442 (E_RNA)
where:
Base-Base interactions energy: -14.223
where: short stacking energy: -14.223
Base-Backbone interact. energy: -0.002
local terms energy: -42.769144
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -6.350
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: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -51.025419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.025419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.025419 (E_RNA)
where:
Base-Base interactions energy: -24.952
where: short stacking energy: -11.167
Base-Backbone interact. energy: -0.214
local terms energy: -25.858794
where:
bonds (distance) C4'-P energy: -8.965
bonds (distance) P-C4' energy: -8.752
flat angles C4'-P-C4' energy: -5.487
flat angles P-C4'-P energy: -5.646
tors. eta vs tors. theta energy: 2.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -61.859449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.859449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.859449 (E_RNA)
where:
Base-Base interactions energy: -24.145
where: short stacking energy: -15.166
Base-Backbone interact. energy: -0.187
local terms energy: -37.528075
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -10.644
flat angles C4'-P-C4' energy: -10.302
flat angles P-C4'-P energy: -6.754
tors. eta vs tors. theta energy: 1.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -55.579112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.579112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.579112 (E_RNA)
where:
Base-Base interactions energy: -16.303
where: short stacking energy: -7.561
Base-Backbone interact. energy: -0.245
local terms energy: -39.031355
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -5.793
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -3.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -119.645753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.645753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.645753 (E_RNA)
where:
Base-Base interactions energy: -71.205
where: short stacking energy: -37.617
Base-Backbone interact. energy: 0.729
local terms energy: -49.169476
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -11.165
flat angles C4'-P-C4' energy: -10.098
flat angles P-C4'-P energy: -6.139
tors. eta vs tors. theta energy: -8.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -102.915097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.915097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.915097 (E_RNA)
where:
Base-Base interactions energy: -55.106
where: short stacking energy: -41.336
Base-Backbone interact. energy: -0.056
local terms energy: -47.752856
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -9.373
flat angles P-C4'-P energy: -4.672
tors. eta vs tors. theta energy: -11.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -107.331082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.331082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.331082 (E_RNA)
where:
Base-Base interactions energy: -58.067
where: short stacking energy: -29.332
Base-Backbone interact. energy: -0.073
local terms energy: -49.191818
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -10.094
flat angles C4'-P-C4' energy: -10.651
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -7.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -86.148802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.148802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.148802 (E_RNA)
where:
Base-Base interactions energy: -37.044
where: short stacking energy: -35.271
Base-Backbone interact. energy: -0.009
local terms energy: -49.095068
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -11.035
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -8.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -71.760218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.760218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.760218 (E_RNA)
where:
Base-Base interactions energy: -30.006
where: short stacking energy: -30.006
Base-Backbone interact. energy: -0.127
local terms energy: -41.627627
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -10.462
flat angles C4'-P-C4' energy: -8.948
flat angles P-C4'-P energy: -3.336
tors. eta vs tors. theta energy: -6.642
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: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -68.573318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.573318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.573318 (E_RNA)
where:
Base-Base interactions energy: -23.536
where: short stacking energy: -21.656
Base-Backbone interact. energy: -0.097
local terms energy: -44.940711
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -8.206
flat angles P-C4'-P energy: -5.430
tors. eta vs tors. theta energy: -7.609
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: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -64.248193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.248193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.248193 (E_RNA)
where:
Base-Base interactions energy: -28.459
where: short stacking energy: -21.509
Base-Backbone interact. energy: -0.944
local terms energy: -34.845132
where:
bonds (distance) C4'-P energy: -9.110
bonds (distance) P-C4' energy: -11.656
flat angles C4'-P-C4' energy: -8.242
flat angles P-C4'-P energy: -3.097
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: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -63.523510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.523510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.523510 (E_RNA)
where:
Base-Base interactions energy: -31.535
where: short stacking energy: -14.557
Base-Backbone interact. energy: -0.138
local terms energy: -31.850015
where:
bonds (distance) C4'-P energy: -8.678
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -2.675
tors. eta vs tors. theta energy: 2.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -60.820498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.820498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.820498 (E_RNA)
where:
Base-Base interactions energy: -23.468
where: short stacking energy: -20.955
Base-Backbone interact. energy: -0.022
local terms energy: -37.329750
where:
bonds (distance) C4'-P energy: -8.990
bonds (distance) P-C4' energy: -10.496
flat angles C4'-P-C4' energy: -5.477
flat angles P-C4'-P energy: -5.229
tors. eta vs tors. theta energy: -7.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -59.923402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.923402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.923402 (E_RNA)
where:
Base-Base interactions energy: -21.233
where: short stacking energy: -19.572
Base-Backbone interact. energy: -0.214
local terms energy: -38.476787
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -6.635
flat angles P-C4'-P energy: -5.580
tors. eta vs tors. theta energy: -2.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -120.484202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.484202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.484202 (E_RNA)
where:
Base-Base interactions energy: -75.094
where: short stacking energy: -42.041
Base-Backbone interact. energy: 0.522
local terms energy: -45.911629
where:
bonds (distance) C4'-P energy: -9.694
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -4.185
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: 2, replica: 4
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -111.398851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.398851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.398851 (E_RNA)
where:
Base-Base interactions energy: -62.346
where: short stacking energy: -37.835
Base-Backbone interact. energy: -0.096
local terms energy: -48.956841
where:
bonds (distance) C4'-P energy: -9.941
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -10.474
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: -10.515
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: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -85.419523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.419523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.419523 (E_RNA)
where:
Base-Base interactions energy: -42.888
where: short stacking energy: -25.139
Base-Backbone interact. energy: -0.867
local terms energy: -41.664425
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -6.733
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -3.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -80.142978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.142978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.142978 (E_RNA)
where:
Base-Base interactions energy: -40.094
where: short stacking energy: -21.656
Base-Backbone interact. energy: -0.011
local terms energy: -40.038321
where:
bonds (distance) C4'-P energy: -9.760
bonds (distance) P-C4' energy: -10.767
flat angles C4'-P-C4' energy: -7.339
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -3.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -87.960237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.960237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.960237 (E_RNA)
where:
Base-Base interactions energy: -52.208
where: short stacking energy: -30.064
Base-Backbone interact. energy: 0.895
local terms energy: -36.646384
where:
bonds (distance) C4'-P energy: -6.083
bonds (distance) P-C4' energy: -9.471
flat angles C4'-P-C4' energy: -8.102
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: -6.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -68.859415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.859415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.859415 (E_RNA)
where:
Base-Base interactions energy: -22.891
where: short stacking energy: -16.809
Base-Backbone interact. energy: -0.862
local terms energy: -45.106800
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -9.322
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -4.017
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: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -65.267458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.267458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.267458 (E_RNA)
where:
Base-Base interactions energy: -25.071
where: short stacking energy: -20.738
Base-Backbone interact. energy: -0.000
local terms energy: -40.196056
where:
bonds (distance) C4'-P energy: -8.641
bonds (distance) P-C4' energy: -9.962
flat angles C4'-P-C4' energy: -10.069
flat angles P-C4'-P energy: -5.813
tors. eta vs tors. theta energy: -5.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -69.812531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.812531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.812531 (E_RNA)
where:
Base-Base interactions energy: -35.230
where: short stacking energy: -18.386
Base-Backbone interact. energy: -0.208
local terms energy: -34.375067
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -9.250
flat angles C4'-P-C4' energy: -9.478
flat angles P-C4'-P energy: -5.071
tors. eta vs tors. theta energy: -0.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -62.205335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.205335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.205335 (E_RNA)
where:
Base-Base interactions energy: -28.008
where: short stacking energy: -26.561
Base-Backbone interact. energy: 0.131
local terms energy: -34.329099
where:
bonds (distance) C4'-P energy: -10.736
bonds (distance) P-C4' energy: -8.611
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: 0.852
tors. eta vs tors. theta energy: -3.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -57.499584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.499584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.499584 (E_RNA)
where:
Base-Base interactions energy: -20.791
where: short stacking energy: -12.818
Base-Backbone interact. energy: -3.354
local terms energy: -33.355100
where:
bonds (distance) C4'-P energy: -7.346
bonds (distance) P-C4' energy: -9.205
flat angles C4'-P-C4' energy: -10.433
flat angles P-C4'-P energy: -5.794
tors. eta vs tors. theta energy: -0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -126.609500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.609500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.609500 (E_RNA)
where:
Base-Base interactions energy: -76.411
where: short stacking energy: -40.822
Base-Backbone interact. energy: -0.083
local terms energy: -50.115243
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -6.158
tors. eta vs tors. theta energy: -11.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -110.015963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.015963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.015963 (E_RNA)
where:
Base-Base interactions energy: -58.154
where: short stacking energy: -32.425
Base-Backbone interact. energy: -0.625
local terms energy: -51.236760
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -9.887
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -8.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -96.877103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.877103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.877103 (E_RNA)
where:
Base-Base interactions energy: -45.183
where: short stacking energy: -31.147
Base-Backbone interact. energy: -0.069
local terms energy: -51.625666
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -6.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -91.806449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.806449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.806449 (E_RNA)
where:
Base-Base interactions energy: -48.045
where: short stacking energy: -31.639
Base-Backbone interact. energy: -0.006
local terms energy: -43.755375
where:
bonds (distance) C4'-P energy: -7.395
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: -7.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -64.619769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.619769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.619769 (E_RNA)
where:
Base-Base interactions energy: -23.748
where: short stacking energy: -15.104
Base-Backbone interact. energy: -0.057
local terms energy: -40.813964
where:
bonds (distance) C4'-P energy: -8.957
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -10.748
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -1.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -71.511241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.511241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.511241 (E_RNA)
where:
Base-Base interactions energy: -31.563
where: short stacking energy: -16.176
Base-Backbone interact. energy: 0.182
local terms energy: -40.129597
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -7.297
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -4.360
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: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -61.342018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.342018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.342018 (E_RNA)
where:
Base-Base interactions energy: -18.414
where: short stacking energy: -18.414
Base-Backbone interact. energy: -0.012
local terms energy: -42.915787
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -9.190
flat angles C4'-P-C4' energy: -11.351
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -2.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -56.110745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.110745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.110745 (E_RNA)
where:
Base-Base interactions energy: -26.671
where: short stacking energy: -13.483
Base-Backbone interact. energy: -1.233
local terms energy: -28.206973
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -6.467
flat angles C4'-P-C4' energy: -7.760
flat angles P-C4'-P energy: -6.920
tors. eta vs tors. theta energy: -1.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -63.642545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.642545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.642545 (E_RNA)
where:
Base-Base interactions energy: -26.277
where: short stacking energy: -13.610
Base-Backbone interact. energy: 0.084
local terms energy: -37.448790
where:
bonds (distance) C4'-P energy: -8.015
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -9.026
flat angles P-C4'-P energy: -5.867
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: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -60.233061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.233061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.233061 (E_RNA)
where:
Base-Base interactions energy: -19.682
where: short stacking energy: -19.682
Base-Backbone interact. energy: -0.097
local terms energy: -40.453602
where:
bonds (distance) C4'-P energy: -6.505
bonds (distance) P-C4' energy: -9.383
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -6.126
tors. eta vs tors. theta energy: -6.898
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: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -123.451303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.451303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.451303 (E_RNA)
where:
Base-Base interactions energy: -71.598
where: short stacking energy: -40.528
Base-Backbone interact. energy: -0.223
local terms energy: -51.630272
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -11.364
flat angles C4'-P-C4' energy: -10.234
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -10.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -108.309310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.309310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.309310 (E_RNA)
where:
Base-Base interactions energy: -65.924
where: short stacking energy: -39.875
Base-Backbone interact. energy: -0.012
local terms energy: -42.372729
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -7.210
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -5.016
tors. eta vs tors. theta energy: -6.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -84.052007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.052007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.052007 (E_RNA)
where:
Base-Base interactions energy: -36.454
where: short stacking energy: -27.835
Base-Backbone interact. energy: -0.001
local terms energy: -47.596195
where:
bonds (distance) C4'-P energy: -6.244
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -10.240
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: 4, replica: 8
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -75.945523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.945523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.945523 (E_RNA)
where:
Base-Base interactions energy: -39.954
where: short stacking energy: -22.158
Base-Backbone interact. energy: -0.053
local terms energy: -35.938040
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -8.827
flat angles P-C4'-P energy: -2.777
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: 5, replica: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -70.432154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.432154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.432154 (E_RNA)
where:
Base-Base interactions energy: -24.638
where: short stacking energy: -17.212
Base-Backbone interact. energy: -0.243
local terms energy: -45.550970
where:
bonds (distance) C4'-P energy: -9.830
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -2.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -68.399064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.399064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.399064 (E_RNA)
where:
Base-Base interactions energy: -28.805
where: short stacking energy: -18.632
Base-Backbone interact. energy: -0.016
local terms energy: -39.578606
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -11.467
flat angles C4'-P-C4' energy: -10.605
flat angles P-C4'-P energy: -3.240
tors. eta vs tors. theta energy: -2.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -58.645119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.645119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.645119 (E_RNA)
where:
Base-Base interactions energy: -15.263
where: short stacking energy: -11.229
Base-Backbone interact. energy: -0.685
local terms energy: -42.697783
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -9.970
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -6.526
tors. eta vs tors. theta energy: -2.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -68.118117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.118117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.118117 (E_RNA)
where:
Base-Base interactions energy: -26.751
where: short stacking energy: -16.591
Base-Backbone interact. energy: -0.168
local terms energy: -41.198818
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -9.798
flat angles C4'-P-C4' energy: -9.162
flat angles P-C4'-P energy: -6.225
tors. eta vs tors. theta energy: -4.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -56.550427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.550427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.550427 (E_RNA)
where:
Base-Base interactions energy: -23.281
where: short stacking energy: -23.281
Base-Backbone interact. energy: -0.001
local terms energy: -33.268049
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -6.024
flat angles C4'-P-C4' energy: -7.034
flat angles P-C4'-P energy: -3.457
tors. eta vs tors. theta energy: -5.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -52.081835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.081835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.081835 (E_RNA)
where:
Base-Base interactions energy: -18.771
where: short stacking energy: -18.771
Base-Backbone interact. energy: -0.094
local terms energy: -33.216263
where:
bonds (distance) C4'-P energy: -7.917
bonds (distance) P-C4' energy: -5.999
flat angles C4'-P-C4' energy: -9.421
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: -3.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -124.728229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.728229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.728229 (E_RNA)
where:
Base-Base interactions energy: -78.386
where: short stacking energy: -20.565
Base-Backbone interact. energy: -0.117
local terms energy: -46.224678
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -9.446
flat angles C4'-P-C4' energy: -9.696
flat angles P-C4'-P energy: -5.183
tors. eta vs tors. theta energy: -9.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -125.610593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.610593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.610593 (E_RNA)
where:
Base-Base interactions energy: -75.633
where: short stacking energy: -38.610
Base-Backbone interact. energy: -0.318
local terms energy: -49.659297
where:
bonds (distance) C4'-P energy: -9.586
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -3.103
tors. eta vs tors. theta energy: -12.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -76.531517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.531517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.531517 (E_RNA)
where:
Base-Base interactions energy: -42.584
where: short stacking energy: -26.749
Base-Backbone interact. energy: -0.149
local terms energy: -33.798002
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -8.461
flat angles P-C4'-P energy: -2.725
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: 4, replica: 8
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -74.589464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.589464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.589464 (E_RNA)
where:
Base-Base interactions energy: -27.038
where: short stacking energy: -23.925
Base-Backbone interact. energy: -0.138
local terms energy: -47.413550
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -11.120
flat angles P-C4'-P energy: -4.441
tors. eta vs tors. theta energy: -6.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -70.262161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.262161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.262161 (E_RNA)
where:
Base-Base interactions energy: -27.672
where: short stacking energy: -20.395
Base-Backbone interact. energy: -0.002
local terms energy: -42.587353
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -11.504
flat angles C4'-P-C4' energy: -8.398
flat angles P-C4'-P energy: -9.089
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: 6, replica: 10
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -76.985637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.985637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.985637 (E_RNA)
where:
Base-Base interactions energy: -33.764
where: short stacking energy: -29.239
Base-Backbone interact. energy: -1.222
local terms energy: -41.999473
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -10.039
flat angles C4'-P-C4' energy: -7.613
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -6.122
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: 9
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -78.857904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.857904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.857904 (E_RNA)
where:
Base-Base interactions energy: -38.272
where: short stacking energy: -21.557
Base-Backbone interact. energy: -0.073
local terms energy: -40.513130
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -10.086
flat angles P-C4'-P energy: -5.732
tors. eta vs tors. theta energy: -1.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -66.889136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.889136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.889136 (E_RNA)
where:
Base-Base interactions energy: -22.391
where: short stacking energy: -22.391
Base-Backbone interact. energy: -0.415
local terms energy: -44.082511
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -11.497
flat angles C4'-P-C4' energy: -9.415
flat angles P-C4'-P energy: -5.526
tors. eta vs tors. theta energy: -6.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -64.798045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.798045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.798045 (E_RNA)
where:
Base-Base interactions energy: -21.815
where: short stacking energy: -21.815
Base-Backbone interact. energy: -0.041
local terms energy: -42.941234
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -9.387
flat angles P-C4'-P energy: -5.860
tors. eta vs tors. theta energy: -3.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -57.351207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.351207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.351207 (E_RNA)
where:
Base-Base interactions energy: -18.790
where: short stacking energy: -17.003
Base-Backbone interact. energy: -0.004
local terms energy: -38.557551
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -8.497
flat angles C4'-P-C4' energy: -7.218
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -4.815
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: 1, replica: 4
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -114.695104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.695104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.695104 (E_RNA)
where:
Base-Base interactions energy: -63.932
where: short stacking energy: -35.023
Base-Backbone interact. energy: -0.148
local terms energy: -50.614662
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -6.505
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: 2, replica: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -85.807464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.807464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.807464 (E_RNA)
where:
Base-Base interactions energy: -35.394
where: short stacking energy: -30.311
Base-Backbone interact. energy: -0.013
local terms energy: -50.400695
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -11.023
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -6.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -100.630283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.630283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.630283 (E_RNA)
where:
Base-Base interactions energy: -55.854
where: short stacking energy: -24.392
Base-Backbone interact. energy: -0.005
local terms energy: -44.771578
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -10.042
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: -6.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -97.435698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.435698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.435698 (E_RNA)
where:
Base-Base interactions energy: -57.253
where: short stacking energy: -25.423
Base-Backbone interact. energy: -0.033
local terms energy: -40.149892
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -8.417
flat angles C4'-P-C4' energy: -9.652
flat angles P-C4'-P energy: -5.247
tors. eta vs tors. theta energy: -5.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -77.751394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.751394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.751394 (E_RNA)
where:
Base-Base interactions energy: -38.059
where: short stacking energy: -27.999
Base-Backbone interact. energy: -0.157
local terms energy: -39.535376
where:
bonds (distance) C4'-P energy: -9.238
bonds (distance) P-C4' energy: -9.084
flat angles C4'-P-C4' energy: -11.530
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -0.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -67.558814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.558814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.558814 (E_RNA)
where:
Base-Base interactions energy: -34.949
where: short stacking energy: -22.582
Base-Backbone interact. energy: -0.129
local terms energy: -32.480880
where:
bonds (distance) C4'-P energy: -9.288
bonds (distance) P-C4' energy: -10.499
flat angles C4'-P-C4' energy: -5.479
flat angles P-C4'-P energy: -5.746
tors. eta vs tors. theta energy: -1.468
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: 10
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -63.350937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.350937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.350937 (E_RNA)
where:
Base-Base interactions energy: -25.765
where: short stacking energy: -14.084
Base-Backbone interact. energy: -0.078
local terms energy: -37.508348
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -9.235
flat angles P-C4'-P energy: -6.734
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: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -57.867618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.867618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.867618 (E_RNA)
where:
Base-Base interactions energy: -15.919
where: short stacking energy: -15.398
Base-Backbone interact. energy: -0.003
local terms energy: -41.945762
where:
bonds (distance) C4'-P energy: -8.145
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -6.475
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: 9, replica: 5
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -58.610761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.610761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.610761 (E_RNA)
where:
Base-Base interactions energy: -25.972
where: short stacking energy: -25.972
Base-Backbone interact. energy: -0.067
local terms energy: -32.571208
where:
bonds (distance) C4'-P energy: -5.288
bonds (distance) P-C4' energy: -9.700
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -2.900
tors. eta vs tors. theta energy: -4.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -57.042351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.042351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.042351 (E_RNA)
where:
Base-Base interactions energy: -21.213
where: short stacking energy: -9.810
Base-Backbone interact. energy: 0.312
local terms energy: -36.140783
where:
bonds (distance) C4'-P energy: -10.499
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -9.995
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: 5.930
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: 1, replica: 4
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -113.017208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.017208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.017208 (E_RNA)
where:
Base-Base interactions energy: -70.695
where: short stacking energy: -33.764
Base-Backbone interact. energy: -0.050
local terms energy: -42.271273
where:
bonds (distance) C4'-P energy: -9.142
bonds (distance) P-C4' energy: -9.591
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -5.311
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: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -104.010540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.010540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.010540 (E_RNA)
where:
Base-Base interactions energy: -61.107
where: short stacking energy: -21.099
Base-Backbone interact. energy: -0.100
local terms energy: -42.803453
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: -4.035
tors. eta vs tors. theta energy: -1.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -95.710997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.710997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.710997 (E_RNA)
where:
Base-Base interactions energy: -51.536
where: short stacking energy: -30.856
Base-Backbone interact. energy: 0.072
local terms energy: -44.246669
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -11.286
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -5.916
tors. eta vs tors. theta energy: -5.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -103.543799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.543799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.543799 (E_RNA)
where:
Base-Base interactions energy: -63.396
where: short stacking energy: -21.343
Base-Backbone interact. energy: -0.196
local terms energy: -39.951406
where:
bonds (distance) C4'-P energy: -7.871
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -5.681
tors. eta vs tors. theta energy: -3.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -69.681454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.681454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.681454 (E_RNA)
where:
Base-Base interactions energy: -27.945
where: short stacking energy: -27.684
Base-Backbone interact. energy: -0.018
local terms energy: -41.718434
where:
bonds (distance) C4'-P energy: -8.074
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -10.216
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -2.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -66.246678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.246678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.246678 (E_RNA)
where:
Base-Base interactions energy: -27.718
where: short stacking energy: -25.201
Base-Backbone interact. energy: -0.104
local terms energy: -38.424019
where:
bonds (distance) C4'-P energy: -9.560
bonds (distance) P-C4' energy: -8.992
flat angles C4'-P-C4' energy: -8.919
flat angles P-C4'-P energy: -3.708
tors. eta vs tors. theta energy: -7.245
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: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -60.857531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.857531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.857531 (E_RNA)
where:
Base-Base interactions energy: -31.709
where: short stacking energy: -21.365
Base-Backbone interact. energy: -0.436
local terms energy: -28.712896
where:
bonds (distance) C4'-P energy: -3.227
bonds (distance) P-C4' energy: -11.522
flat angles C4'-P-C4' energy: -8.455
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: 3.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -58.610658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.610658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.610658 (E_RNA)
where:
Base-Base interactions energy: -18.015
where: short stacking energy: -18.015
Base-Backbone interact. energy: -0.192
local terms energy: -40.403201
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -10.489
flat angles C4'-P-C4' energy: -10.451
flat angles P-C4'-P energy: -6.121
tors. eta vs tors. theta energy: -1.459
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: 7
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -55.161704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.161704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.161704 (E_RNA)
where:
Base-Base interactions energy: -19.433
where: short stacking energy: -17.288
Base-Backbone interact. energy: -0.155
local terms energy: -35.573764
where:
bonds (distance) C4'-P energy: -6.807
bonds (distance) P-C4' energy: -9.238
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -1.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -57.451279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.451279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.451279 (E_RNA)
where:
Base-Base interactions energy: -27.460
where: short stacking energy: -14.787
Base-Backbone interact. energy: -0.077
local terms energy: -29.914846
where:
bonds (distance) C4'-P energy: -10.479
bonds (distance) P-C4' energy: -8.651
flat angles C4'-P-C4' energy: -6.477
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: 2.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -111.487695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.487695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.487695 (E_RNA)
where:
Base-Base interactions energy: -65.782
where: short stacking energy: -27.332
Base-Backbone interact. energy: -0.500
local terms energy: -45.205885
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -10.623
flat angles P-C4'-P energy: -6.305
tors. eta vs tors. theta energy: -3.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -87.943539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.943539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.943539 (E_RNA)
where:
Base-Base interactions energy: -43.399
where: short stacking energy: -23.249
Base-Backbone interact. energy: -0.038
local terms energy: -44.506293
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -11.609
flat angles C4'-P-C4' energy: -9.568
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -4.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -91.363394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.363394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.363394 (E_RNA)
where:
Base-Base interactions energy: -45.310
where: short stacking energy: -31.450
Base-Backbone interact. energy: -0.053
local terms energy: -46.000317
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -10.920
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -5.839
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: 4, replica: 9
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -82.938680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.938680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.938680 (E_RNA)
where:
Base-Base interactions energy: -39.779
where: short stacking energy: -24.480
Base-Backbone interact. energy: -0.012
local terms energy: -43.147201
where:
bonds (distance) C4'-P energy: -7.851
bonds (distance) P-C4' energy: -11.490
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -3.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -86.156900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.156900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.156900 (E_RNA)
where:
Base-Base interactions energy: -45.096
where: short stacking energy: -15.932
Base-Backbone interact. energy: -0.236
local terms energy: -40.825062
where:
bonds (distance) C4'-P energy: -11.340
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: 0.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -64.874857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.874857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.874857 (E_RNA)
where:
Base-Base interactions energy: -23.605
where: short stacking energy: -22.484
Base-Backbone interact. energy: -0.070
local terms energy: -41.199689
where:
bonds (distance) C4'-P energy: -11.277
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -7.615
flat angles P-C4'-P energy: -2.785
tors. eta vs tors. theta energy: -5.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -59.358093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.358093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.358093 (E_RNA)
where:
Base-Base interactions energy: -14.694
where: short stacking energy: -13.349
Base-Backbone interact. energy: -0.241
local terms energy: -44.422817
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -10.269
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -5.762
tors. eta vs tors. theta energy: -4.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -61.488457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.488457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.488457 (E_RNA)
where:
Base-Base interactions energy: -21.490
where: short stacking energy: -11.430
Base-Backbone interact. energy: -0.012
local terms energy: -39.986541
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -9.186
flat angles C4'-P-C4' energy: -9.832
flat angles P-C4'-P energy: -4.731
tors. eta vs tors. theta energy: -4.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -65.047448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.047448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.047448 (E_RNA)
where:
Base-Base interactions energy: -22.218
where: short stacking energy: -14.867
Base-Backbone interact. energy: -0.401
local terms energy: -42.428348
where:
bonds (distance) C4'-P energy: -9.238
bonds (distance) P-C4' energy: -11.039
flat angles C4'-P-C4' energy: -8.976
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -4.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -51.909368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.909368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.909368 (E_RNA)
where:
Base-Base interactions energy: -16.900
where: short stacking energy: -16.900
Base-Backbone interact. energy: -1.105
local terms energy: -33.903936
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -8.137
flat angles C4'-P-C4' energy: -9.391
flat angles P-C4'-P energy: -4.290
tors. eta vs tors. theta energy: -2.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -93.427257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.427257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.427257 (E_RNA)
where:
Base-Base interactions energy: -45.354
where: short stacking energy: -34.360
Base-Backbone interact. energy: -0.038
local terms energy: -48.035704
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -10.186
flat angles P-C4'-P energy: -7.246
tors. eta vs tors. theta energy: -9.779
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: 4
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -123.496032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.496032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.496032 (E_RNA)
where:
Base-Base interactions energy: -77.491
where: short stacking energy: -31.950
Base-Backbone interact. energy: -0.748
local terms energy: -45.257375
where:
bonds (distance) C4'-P energy: -5.686
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -10.839
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -8.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -111.412406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.412406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.412406 (E_RNA)
where:
Base-Base interactions energy: -63.269
where: short stacking energy: -37.725
Base-Backbone interact. energy: -0.007
local terms energy: -48.136379
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -9.906
flat angles P-C4'-P energy: -5.846
tors. eta vs tors. theta energy: -7.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -81.288415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.288415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.288415 (E_RNA)
where:
Base-Base interactions energy: -32.722
where: short stacking energy: -32.722
Base-Backbone interact. energy: -0.070
local terms energy: -48.495971
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -9.799
flat angles C4'-P-C4' energy: -9.872
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -10.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -73.073206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.073206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.073206 (E_RNA)
where:
Base-Base interactions energy: -31.880
where: short stacking energy: -12.571
Base-Backbone interact. energy: -0.233
local terms energy: -40.959836
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -10.305
flat angles C4'-P-C4' energy: -10.804
flat angles P-C4'-P energy: -4.892
tors. eta vs tors. theta energy: -4.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -66.885166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.885166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.885166 (E_RNA)
where:
Base-Base interactions energy: -28.508
where: short stacking energy: -21.275
Base-Backbone interact. energy: -0.276
local terms energy: -38.101412
where:
bonds (distance) C4'-P energy: -12.072
bonds (distance) P-C4' energy: -6.601
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -1.506
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: 7, replica: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -60.716210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.716210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.716210 (E_RNA)
where:
Base-Base interactions energy: -24.552
where: short stacking energy: -15.910
Base-Backbone interact. energy: 0.538
local terms energy: -36.702831
where:
bonds (distance) C4'-P energy: -9.029
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -5.040
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -1.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -57.707886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.707886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.707886 (E_RNA)
where:
Base-Base interactions energy: -19.908
where: short stacking energy: -19.607
Base-Backbone interact. energy: -0.002
local terms energy: -37.797536
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -5.354
flat angles P-C4'-P energy: -6.510
tors. eta vs tors. theta energy: -0.562
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: 9, replica: 5
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -61.447000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.447000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.447000 (E_RNA)
where:
Base-Base interactions energy: -24.360
where: short stacking energy: -22.107
Base-Backbone interact. energy: 0.179
local terms energy: -37.265813
where:
bonds (distance) C4'-P energy: -5.491
bonds (distance) P-C4' energy: -11.191
flat angles C4'-P-C4' energy: -9.348
flat angles P-C4'-P energy: -6.003
tors. eta vs tors. theta energy: -5.234
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: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -53.077943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.077943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.077943 (E_RNA)
where:
Base-Base interactions energy: -19.079
where: short stacking energy: -17.189
Base-Backbone interact. energy: -0.108
local terms energy: -33.890794
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -2.883
flat angles P-C4'-P energy: -4.102
tors. eta vs tors. theta energy: -3.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -115.237383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.237383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.237383 (E_RNA)
where:
Base-Base interactions energy: -64.778
where: short stacking energy: -40.817
Base-Backbone interact. energy: -0.100
local terms energy: -50.359009
where:
bonds (distance) C4'-P energy: -8.936
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -9.245
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: 9
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -126.135199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.135199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.135199 (E_RNA)
where:
Base-Base interactions energy: -74.826
where: short stacking energy: -45.102
Base-Backbone interact. energy: -0.008
local terms energy: -51.301062
where:
bonds (distance) C4'-P energy: -10.239
bonds (distance) P-C4' energy: -10.024
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -11.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -95.143285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.143285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.143285 (E_RNA)
where:
Base-Base interactions energy: -50.206
where: short stacking energy: -20.120
Base-Backbone interact. energy: -0.735
local terms energy: -44.201899
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -9.248
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -5.444
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: 6
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -77.816636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.816636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.816636 (E_RNA)
where:
Base-Base interactions energy: -30.770
where: short stacking energy: -21.975
Base-Backbone interact. energy: -0.168
local terms energy: -46.877936
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -8.982
flat angles P-C4'-P energy: -5.083
tors. eta vs tors. theta energy: -7.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -76.080874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.080874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.080874 (E_RNA)
where:
Base-Base interactions energy: -28.821
where: short stacking energy: -23.434
Base-Backbone interact. energy: -0.061
local terms energy: -47.198964
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -13.354
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -5.362
tors. eta vs tors. theta energy: -6.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -71.457087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.457087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.457087 (E_RNA)
where:
Base-Base interactions energy: -37.777
where: short stacking energy: -18.346
Base-Backbone interact. energy: -0.076
local terms energy: -33.604008
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -9.011
flat angles C4'-P-C4' energy: -6.997
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -0.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -75.439730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.439730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.439730 (E_RNA)
where:
Base-Base interactions energy: -31.178
where: short stacking energy: -23.442
Base-Backbone interact. energy: -0.146
local terms energy: -44.115127
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -10.281
flat angles C4'-P-C4' energy: -10.153
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -4.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -62.148104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.148104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.148104 (E_RNA)
where:
Base-Base interactions energy: -21.769
where: short stacking energy: -15.493
Base-Backbone interact. energy: -0.064
local terms energy: -40.314865
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -8.699
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -2.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -65.351704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.351704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.351704 (E_RNA)
where:
Base-Base interactions energy: -26.787
where: short stacking energy: -21.804
Base-Backbone interact. energy: -0.243
local terms energy: -38.321248
where:
bonds (distance) C4'-P energy: -4.041
bonds (distance) P-C4' energy: -9.146
flat angles C4'-P-C4' energy: -10.075
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -5.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -59.313037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.313037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.313037 (E_RNA)
where:
Base-Base interactions energy: -24.635
where: short stacking energy: -19.039
Base-Backbone interact. energy: -0.096
local terms energy: -34.582249
where:
bonds (distance) C4'-P energy: -9.262
bonds (distance) P-C4' energy: -9.029
flat angles C4'-P-C4' energy: -7.869
flat angles P-C4'-P energy: -5.914
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: 14
Temperature: 0.900000
Total energy: -125.610813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.610813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.610813 (E_RNA)
where:
Base-Base interactions energy: -71.018
where: short stacking energy: -41.883
Base-Backbone interact. energy: -0.004
local terms energy: -54.589045
where:
bonds (distance) C4'-P energy: -9.615
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -11.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -120.509076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.509076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.509076 (E_RNA)
where:
Base-Base interactions energy: -77.320
where: short stacking energy: -35.929
Base-Backbone interact. energy: 0.186
local terms energy: -43.375337
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -12.431
flat angles C4'-P-C4' energy: -5.494
flat angles P-C4'-P energy: -5.523
tors. eta vs tors. theta energy: -9.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -88.175506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.175506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.175506 (E_RNA)
where:
Base-Base interactions energy: -41.825
where: short stacking energy: -30.022
Base-Backbone interact. energy: -1.099
local terms energy: -45.251817
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -9.224
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -6.498
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: 6
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -73.077702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.077702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.077702 (E_RNA)
where:
Base-Base interactions energy: -29.992
where: short stacking energy: -19.890
Base-Backbone interact. energy: -0.352
local terms energy: -42.733943
where:
bonds (distance) C4'-P energy: -10.198
bonds (distance) P-C4' energy: -10.784
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -8.228
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: 5, replica: 8
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -65.941544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.941544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.941544 (E_RNA)
where:
Base-Base interactions energy: -31.680
where: short stacking energy: -15.130
Base-Backbone interact. energy: 0.559
local terms energy: -34.820706
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -9.630
flat angles P-C4'-P energy: -2.889
tors. eta vs tors. theta energy: 0.346
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: 3
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -64.532149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.532149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.532149 (E_RNA)
where:
Base-Base interactions energy: -25.153
where: short stacking energy: -18.530
Base-Backbone interact. energy: -0.065
local terms energy: -39.314131
where:
bonds (distance) C4'-P energy: -10.281
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -9.404
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: 0.110
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: 14
Temperature: 1.200000
Total energy: -68.265946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.265946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.265946 (E_RNA)
where:
Base-Base interactions energy: -25.345
where: short stacking energy: -24.664
Base-Backbone interact. energy: -0.004
local terms energy: -42.917334
where:
bonds (distance) C4'-P energy: -8.758
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -4.111
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: 8, replica: 2
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -71.444622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.444622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.444622 (E_RNA)
where:
Base-Base interactions energy: -33.675
where: short stacking energy: -18.272
Base-Backbone interact. energy: -0.089
local terms energy: -37.679967
where:
bonds (distance) C4'-P energy: -8.157
bonds (distance) P-C4' energy: -6.614
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -5.131
tors. eta vs tors. theta energy: -5.554
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: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -72.415315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.415315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.415315 (E_RNA)
where:
Base-Base interactions energy: -25.803
where: short stacking energy: -25.803
Base-Backbone interact. energy: -0.061
local terms energy: -46.551455
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -10.616
flat angles P-C4'-P energy: -4.820
tors. eta vs tors. theta energy: -8.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -53.473641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.473641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.473641 (E_RNA)
where:
Base-Base interactions energy: -14.272
where: short stacking energy: -14.272
Base-Backbone interact. energy: -0.071
local terms energy: -39.130695
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -8.436
flat angles P-C4'-P energy: -5.126
tors. eta vs tors. theta energy: -1.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -117.502991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.502991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.502991 (E_RNA)
where:
Base-Base interactions energy: -64.101
where: short stacking energy: -35.821
Base-Backbone interact. energy: -0.081
local terms energy: -53.321433
where:
bonds (distance) C4'-P energy: -7.594
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -11.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -117.371521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.371521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.371521 (E_RNA)
where:
Base-Base interactions energy: -76.841
where: short stacking energy: -29.795
Base-Backbone interact. energy: -0.203
local terms energy: -40.327420
where:
bonds (distance) C4'-P energy: -8.704
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -11.483
flat angles P-C4'-P energy: -2.110
tors. eta vs tors. theta energy: -6.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -93.183238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.183238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.183238 (E_RNA)
where:
Base-Base interactions energy: -50.184
where: short stacking energy: -30.522
Base-Backbone interact. energy: -0.060
local terms energy: -42.939904
where:
bonds (distance) C4'-P energy: -10.292
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -9.631
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -3.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -70.108745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.108745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.108745 (E_RNA)
where:
Base-Base interactions energy: -30.542
where: short stacking energy: -25.287
Base-Backbone interact. energy: -0.056
local terms energy: -39.510709
where:
bonds (distance) C4'-P energy: -8.339
bonds (distance) P-C4' energy: -11.541
flat angles C4'-P-C4' energy: -10.902
flat angles P-C4'-P energy: -3.612
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: 5, replica: 6
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -69.289275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.289275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.289275 (E_RNA)
where:
Base-Base interactions energy: -34.353
where: short stacking energy: -24.282
Base-Backbone interact. energy: -0.102
local terms energy: -34.834097
where:
bonds (distance) C4'-P energy: -8.517
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -6.039
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -1.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -78.568251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.568251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.568251 (E_RNA)
where:
Base-Base interactions energy: -36.966
where: short stacking energy: -23.175
Base-Backbone interact. energy: 0.302
local terms energy: -41.904024
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -9.277
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -2.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -61.287447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.287447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.287447 (E_RNA)
where:
Base-Base interactions energy: -19.086
where: short stacking energy: -19.086
Base-Backbone interact. energy: -0.007
local terms energy: -42.193966
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -8.044
flat angles P-C4'-P energy: -6.337
tors. eta vs tors. theta energy: -4.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -56.635641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.635641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.635641 (E_RNA)
where:
Base-Base interactions energy: -19.435
where: short stacking energy: -19.432
Base-Backbone interact. energy: -0.052
local terms energy: -37.149448
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -8.962
flat angles C4'-P-C4' energy: -8.828
flat angles P-C4'-P energy: 0.589
tors. eta vs tors. theta energy: -6.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -63.052993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.052993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.052993 (E_RNA)
where:
Base-Base interactions energy: -20.939
where: short stacking energy: -17.181
Base-Backbone interact. energy: -0.038
local terms energy: -42.076479
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -10.743
flat angles C4'-P-C4' energy: -8.741
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -4.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -58.550947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.550947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.550947 (E_RNA)
where:
Base-Base interactions energy: -18.951
where: short stacking energy: -18.695
Base-Backbone interact. energy: -0.041
local terms energy: -39.559257
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -4.659
flat angles P-C4'-P energy: -7.202
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: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -123.370831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.370831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.370831 (E_RNA)
where:
Base-Base interactions energy: -79.983
where: short stacking energy: -27.993
Base-Backbone interact. energy: -0.111
local terms energy: -43.277326
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -8.409
flat angles C4'-P-C4' energy: -10.935
flat angles P-C4'-P energy: -5.477
tors. eta vs tors. theta energy: -6.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -111.911123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.911123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.911123 (E_RNA)
where:
Base-Base interactions energy: -59.720
where: short stacking energy: -34.022
Base-Backbone interact. energy: -0.040
local terms energy: -52.151634
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -12.897
flat angles C4'-P-C4' energy: -11.969
flat angles P-C4'-P energy: -5.442
tors. eta vs tors. theta energy: -11.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -89.405251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.405251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.405251 (E_RNA)
where:
Base-Base interactions energy: -43.848
where: short stacking energy: -30.592
Base-Backbone interact. energy: -0.102
local terms energy: -45.455001
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -10.749
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -6.078
tors. eta vs tors. theta energy: -6.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -87.768953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.768953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.768953 (E_RNA)
where:
Base-Base interactions energy: -50.640
where: short stacking energy: -15.308
Base-Backbone interact. energy: -0.854
local terms energy: -36.274482
where:
bonds (distance) C4'-P energy: -7.996
bonds (distance) P-C4' energy: -12.273
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -4.891
tors. eta vs tors. theta energy: -0.188
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: 5
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -75.309084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.309084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.309084 (E_RNA)
where:
Base-Base interactions energy: -29.401
where: short stacking energy: -26.153
Base-Backbone interact. energy: -0.075
local terms energy: -45.832961
where:
bonds (distance) C4'-P energy: -10.045
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -7.676
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: 6, replica: 6
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -64.795320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.795320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.795320 (E_RNA)
where:
Base-Base interactions energy: -21.675
where: short stacking energy: -21.675
Base-Backbone interact. energy: -0.116
local terms energy: -43.004059
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -10.263
flat angles C4'-P-C4' energy: -9.063
flat angles P-C4'-P energy: -9.439
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: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -67.276979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.276979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.276979 (E_RNA)
where:
Base-Base interactions energy: -24.181
where: short stacking energy: -24.181
Base-Backbone interact. energy: -0.067
local terms energy: -43.028667
where:
bonds (distance) C4'-P energy: -6.402
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -9.585
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -6.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -62.699955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.699955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.699955 (E_RNA)
where:
Base-Base interactions energy: -27.320
where: short stacking energy: -17.665
Base-Backbone interact. energy: -2.180
local terms energy: -33.200093
where:
bonds (distance) C4'-P energy: -2.596
bonds (distance) P-C4' energy: -9.513
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -3.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -53.617787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.617787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.617787 (E_RNA)
where:
Base-Base interactions energy: -18.778
where: short stacking energy: -12.960
Base-Backbone interact. energy: -0.180
local terms energy: -34.660058
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -8.733
flat angles C4'-P-C4' energy: -10.385
flat angles P-C4'-P energy: -4.135
tors. eta vs tors. theta energy: -1.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -51.762884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.762884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.762884 (E_RNA)
where:
Base-Base interactions energy: -23.323
where: short stacking energy: -22.297
Base-Backbone interact. energy: 0.826
local terms energy: -29.265705
where:
bonds (distance) C4'-P energy: -6.887
bonds (distance) P-C4' energy: -8.301
flat angles C4'-P-C4' energy: -6.683
flat angles P-C4'-P energy: -2.431
tors. eta vs tors. theta energy: -4.965
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: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -123.888666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.888666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.888666 (E_RNA)
where:
Base-Base interactions energy: -73.810
where: short stacking energy: -34.843
Base-Backbone interact. energy: -0.097
local terms energy: -49.980966
where:
bonds (distance) C4'-P energy: -10.186
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -10.379
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -8.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -98.655009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.655009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.655009 (E_RNA)
where:
Base-Base interactions energy: -52.621
where: short stacking energy: -21.311
Base-Backbone interact. energy: 0.002
local terms energy: -46.035856
where:
bonds (distance) C4'-P energy: -11.137
bonds (distance) P-C4' energy: -11.656
flat angles C4'-P-C4' energy: -11.106
flat angles P-C4'-P energy: -6.009
tors. eta vs tors. theta energy: -6.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -87.492080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.492080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.492080 (E_RNA)
where:
Base-Base interactions energy: -42.912
where: short stacking energy: -30.419
Base-Backbone interact. energy: -0.009
local terms energy: -44.570840
where:
bonds (distance) C4'-P energy: -10.073
bonds (distance) P-C4' energy: -10.422
flat angles C4'-P-C4' energy: -9.285
flat angles P-C4'-P energy: -6.121
tors. eta vs tors. theta energy: -8.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -70.868553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.868553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.868553 (E_RNA)
where:
Base-Base interactions energy: -29.151
where: short stacking energy: -16.922
Base-Backbone interact. energy: -0.554
local terms energy: -41.163311
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -6.871
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -4.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -73.714963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.714963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.714963 (E_RNA)
where:
Base-Base interactions energy: -29.523
where: short stacking energy: -25.956
Base-Backbone interact. energy: -0.000
local terms energy: -44.191861
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -10.782
flat angles C4'-P-C4' energy: -8.221
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -5.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -65.719320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.719320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.719320 (E_RNA)
where:
Base-Base interactions energy: -26.360
where: short stacking energy: -25.077
Base-Backbone interact. energy: -0.139
local terms energy: -39.220487
where:
bonds (distance) C4'-P energy: -9.431
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -7.264
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -3.723
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: 6
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -67.083860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.083860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.083860 (E_RNA)
where:
Base-Base interactions energy: -28.074
where: short stacking energy: -19.979
Base-Backbone interact. energy: 0.214
local terms energy: -39.224219
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -10.048
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -4.796
tors. eta vs tors. theta energy: -2.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -61.763197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.763197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.763197 (E_RNA)
where:
Base-Base interactions energy: -22.243
where: short stacking energy: -19.132
Base-Backbone interact. energy: -0.098
local terms energy: -39.422286
where:
bonds (distance) C4'-P energy: -8.728
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -3.547
tors. eta vs tors. theta energy: -5.010
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: 3
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -59.732126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.732126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.732126 (E_RNA)
where:
Base-Base interactions energy: -19.759
where: short stacking energy: -14.070
Base-Backbone interact. energy: -0.141
local terms energy: -39.831891
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -8.731
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -5.787
tors. eta vs tors. theta energy: -1.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -55.252862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.252862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.252862 (E_RNA)
where:
Base-Base interactions energy: -22.730
where: short stacking energy: -16.823
Base-Backbone interact. energy: -0.088
local terms energy: -32.434664
where:
bonds (distance) C4'-P energy: -8.927
bonds (distance) P-C4' energy: -8.198
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -3.044
tors. eta vs tors. theta energy: -1.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -128.837848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.837848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.837848 (E_RNA)
where:
Base-Base interactions energy: -79.934
where: short stacking energy: -33.029
Base-Backbone interact. energy: -0.883
local terms energy: -48.020186
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -10.504
flat angles C4'-P-C4' energy: -9.686
flat angles P-C4'-P energy: -6.925
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: 2, replica: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -93.345292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.345292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.345292 (E_RNA)
where:
Base-Base interactions energy: -48.681
where: short stacking energy: -14.702
Base-Backbone interact. energy: -1.214
local terms energy: -43.449953
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -5.028
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: 3, replica: 9
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -91.576083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.576083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.576083 (E_RNA)
where:
Base-Base interactions energy: -50.708
where: short stacking energy: -24.166
Base-Backbone interact. energy: 0.548
local terms energy: -41.416392
where:
bonds (distance) C4'-P energy: -8.056
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -9.846
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -3.559
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: 5
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -91.458743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.458743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.458743 (E_RNA)
where:
Base-Base interactions energy: -43.589
where: short stacking energy: -34.218
Base-Backbone interact. energy: -0.004
local terms energy: -47.865499
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -10.705
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -7.073
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: 5, replica: 10
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -73.158660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.158660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.158660 (E_RNA)
where:
Base-Base interactions energy: -30.440
where: short stacking energy: -29.834
Base-Backbone interact. energy: -0.016
local terms energy: -42.702809
where:
bonds (distance) C4'-P energy: -10.124
bonds (distance) P-C4' energy: -9.203
flat angles C4'-P-C4' energy: -10.238
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -5.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -93.044230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.044230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.044230 (E_RNA)
where:
Base-Base interactions energy: -51.478
where: short stacking energy: -27.626
Base-Backbone interact. energy: -0.367
local terms energy: -41.198413
where:
bonds (distance) C4'-P energy: -10.354
bonds (distance) P-C4' energy: -10.131
flat angles C4'-P-C4' energy: -7.995
flat angles P-C4'-P energy: -4.431
tors. eta vs tors. theta energy: -8.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -69.473896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.473896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.473896 (E_RNA)
where:
Base-Base interactions energy: -23.779
where: short stacking energy: -16.588
Base-Backbone interact. energy: -0.198
local terms energy: -45.497075
where:
bonds (distance) C4'-P energy: -10.305
bonds (distance) P-C4' energy: -12.741
flat angles C4'-P-C4' energy: -7.481
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -4.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -56.211469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.211469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.211469 (E_RNA)
where:
Base-Base interactions energy: -13.426
where: short stacking energy: -13.426
Base-Backbone interact. energy: -0.007
local terms energy: -42.778023
where:
bonds (distance) C4'-P energy: -9.646
bonds (distance) P-C4' energy: -11.398
flat angles C4'-P-C4' energy: -9.139
flat angles P-C4'-P energy: -3.664
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: 9, replica: 3
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -50.397104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.397104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.397104 (E_RNA)
where:
Base-Base interactions energy: -16.032
where: short stacking energy: -10.038
Base-Backbone interact. energy: -0.091
local terms energy: -34.274066
where:
bonds (distance) C4'-P energy: -11.228
bonds (distance) P-C4' energy: -11.634
flat angles C4'-P-C4' energy: -2.710
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -0.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -56.344370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.344370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.344370 (E_RNA)
where:
Base-Base interactions energy: -18.209
where: short stacking energy: -12.266
Base-Backbone interact. energy: -0.104
local terms energy: -38.031435
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -2.152
tors. eta vs tors. theta energy: 0.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -127.286157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.286157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.286157 (E_RNA)
where:
Base-Base interactions energy: -79.175
where: short stacking energy: -21.742
Base-Backbone interact. energy: -1.254
local terms energy: -46.857739
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -5.441
tors. eta vs tors. theta energy: -6.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -94.301492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.301492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.301492 (E_RNA)
where:
Base-Base interactions energy: -50.041
where: short stacking energy: -22.858
Base-Backbone interact. energy: -0.517
local terms energy: -43.743410
where:
bonds (distance) C4'-P energy: -8.799
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -4.606
tors. eta vs tors. theta energy: -4.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -85.827732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.827732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.827732 (E_RNA)
where:
Base-Base interactions energy: -38.363
where: short stacking energy: -36.779
Base-Backbone interact. energy: -0.000
local terms energy: -47.464797
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -10.753
flat angles P-C4'-P energy: -2.992
tors. eta vs tors. theta energy: -8.693
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: 4, replica: 10
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -83.573617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.573617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.573617 (E_RNA)
where:
Base-Base interactions energy: -36.719
where: short stacking energy: -26.147
Base-Backbone interact. energy: -0.002
local terms energy: -46.852081
where:
bonds (distance) C4'-P energy: -9.048
bonds (distance) P-C4' energy: -11.381
flat angles C4'-P-C4' energy: -9.256
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -10.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -99.570726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.570726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.570726 (E_RNA)
where:
Base-Base interactions energy: -58.388
where: short stacking energy: -27.377
Base-Backbone interact. energy: -0.366
local terms energy: -40.817661
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -7.869
flat angles P-C4'-P energy: -3.090
tors. eta vs tors. theta energy: -5.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -83.318876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.318876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.318876 (E_RNA)
where:
Base-Base interactions energy: -47.164
where: short stacking energy: -22.531
Base-Backbone interact. energy: 0.115
local terms energy: -36.269851
where:
bonds (distance) C4'-P energy: -7.560
bonds (distance) P-C4' energy: -10.024
flat angles C4'-P-C4' energy: -6.657
flat angles P-C4'-P energy: -4.397
tors. eta vs tors. theta energy: -7.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -63.087553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.087553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.087553 (E_RNA)
where:
Base-Base interactions energy: -27.320
where: short stacking energy: -9.833
Base-Backbone interact. energy: -0.123
local terms energy: -35.644456
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -11.151
flat angles C4'-P-C4' energy: -7.117
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -0.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -71.155972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.155972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.155972 (E_RNA)
where:
Base-Base interactions energy: -26.042
where: short stacking energy: -26.042
Base-Backbone interact. energy: -0.013
local terms energy: -45.100384
where:
bonds (distance) C4'-P energy: -6.050
bonds (distance) P-C4' energy: -11.529
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -6.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -57.205135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.205135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.205135 (E_RNA)
where:
Base-Base interactions energy: -21.871
where: short stacking energy: -13.294
Base-Backbone interact. energy: -0.276
local terms energy: -35.058526
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -9.328
flat angles P-C4'-P energy: -3.102
tors. eta vs tors. theta energy: -0.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -54.912654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.912654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.912654 (E_RNA)
where:
Base-Base interactions energy: -22.266
where: short stacking energy: -17.752
Base-Backbone interact. energy: -0.012
local terms energy: -32.635452
where:
bonds (distance) C4'-P energy: -6.414
bonds (distance) P-C4' energy: -9.587
flat angles C4'-P-C4' energy: -8.319
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -0.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -130.776631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.776631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.776631 (E_RNA)
where:
Base-Base interactions energy: -88.308
where: short stacking energy: -34.573
Base-Backbone interact. energy: -0.459
local terms energy: -42.010391
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -9.269
flat angles C4'-P-C4' energy: -12.646
flat angles P-C4'-P energy: -3.233
tors. eta vs tors. theta energy: -7.261
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: 9
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -99.245057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.245057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.245057 (E_RNA)
where:
Base-Base interactions energy: -48.250
where: short stacking energy: -34.803
Base-Backbone interact. energy: -0.044
local terms energy: -50.951583
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -7.820
flat angles P-C4'-P energy: -6.262
tors. eta vs tors. theta energy: -11.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -80.982529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.982529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.982529 (E_RNA)
where:
Base-Base interactions energy: -42.565
where: short stacking energy: -28.455
Base-Backbone interact. energy: -0.040
local terms energy: -38.376948
where:
bonds (distance) C4'-P energy: -10.976
bonds (distance) P-C4' energy: -7.700
flat angles C4'-P-C4' energy: -3.722
flat angles P-C4'-P energy: -5.484
tors. eta vs tors. theta energy: -10.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -85.372127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.372127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.372127 (E_RNA)
where:
Base-Base interactions energy: -45.214
where: short stacking energy: -14.845
Base-Backbone interact. energy: -0.351
local terms energy: -39.807679
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -7.960
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: 0.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -86.090089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.090089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.090089 (E_RNA)
where:
Base-Base interactions energy: -44.675
where: short stacking energy: -23.350
Base-Backbone interact. energy: -0.012
local terms energy: -41.402248
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -10.153
flat angles C4'-P-C4' energy: -10.428
flat angles P-C4'-P energy: -3.007
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: 6, replica: 8
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -66.873674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.873674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.873674 (E_RNA)
where:
Base-Base interactions energy: -31.119
where: short stacking energy: -20.138
Base-Backbone interact. energy: -0.209
local terms energy: -35.545645
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -8.691
flat angles P-C4'-P energy: -2.884
tors. eta vs tors. theta energy: -0.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -71.904694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.904694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.904694 (E_RNA)
where:
Base-Base interactions energy: -28.611
where: short stacking energy: -24.831
Base-Backbone interact. energy: -0.154
local terms energy: -43.139428
where:
bonds (distance) C4'-P energy: -7.524
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -10.187
flat angles P-C4'-P energy: -5.082
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: 3
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -59.258908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.258908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.258908 (E_RNA)
where:
Base-Base interactions energy: -27.493
where: short stacking energy: -15.961
Base-Backbone interact. energy: 0.112
local terms energy: -31.878177
where:
bonds (distance) C4'-P energy: -5.798
bonds (distance) P-C4' energy: -10.907
flat angles C4'-P-C4' energy: -9.200
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: 1.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -64.026540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.026540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.026540 (E_RNA)
where:
Base-Base interactions energy: -24.786
where: short stacking energy: -21.936
Base-Backbone interact. energy: -0.125
local terms energy: -39.115532
where:
bonds (distance) C4'-P energy: -8.223
bonds (distance) P-C4' energy: -10.073
flat angles C4'-P-C4' energy: -10.442
flat angles P-C4'-P energy: -5.399
tors. eta vs tors. theta energy: -4.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -68.027226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.027226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.027226 (E_RNA)
where:
Base-Base interactions energy: -21.797
where: short stacking energy: -21.797
Base-Backbone interact. energy: -0.108
local terms energy: -46.122182
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -10.358
flat angles C4'-P-C4' energy: -11.537
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -2.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -135.604440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.604440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.604440 (E_RNA)
where:
Base-Base interactions energy: -89.161
where: short stacking energy: -32.674
Base-Backbone interact. energy: -0.669
local terms energy: -45.773852
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -6.916
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -8.240
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: 10
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -96.699485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.699485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.699485 (E_RNA)
where:
Base-Base interactions energy: -47.377
where: short stacking energy: -33.953
Base-Backbone interact. energy: -0.002
local terms energy: -49.320274
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -9.445
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -7.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -95.551350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.551350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.551350 (E_RNA)
where:
Base-Base interactions energy: -50.315
where: short stacking energy: -24.252
Base-Backbone interact. energy: -0.062
local terms energy: -45.173959
where:
bonds (distance) C4'-P energy: -10.256
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -10.125
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -3.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -100.942602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.942602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.942602 (E_RNA)
where:
Base-Base interactions energy: -55.083
where: short stacking energy: -23.313
Base-Backbone interact. energy: -0.027
local terms energy: -45.832762
where:
bonds (distance) C4'-P energy: -8.749
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -4.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -69.968349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.968349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.968349 (E_RNA)
where:
Base-Base interactions energy: -34.139
where: short stacking energy: -10.680
Base-Backbone interact. energy: -0.134
local terms energy: -35.694827
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -11.398
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -1.937
tors. eta vs tors. theta energy: 1.298
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: 6, replica: 7
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -69.194861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.194861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.194861 (E_RNA)
where:
Base-Base interactions energy: -31.151
where: short stacking energy: -27.737
Base-Backbone interact. energy: -0.069
local terms energy: -37.975742
where:
bonds (distance) C4'-P energy: -11.199
bonds (distance) P-C4' energy: -7.477
flat angles C4'-P-C4' energy: -8.403
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -3.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -69.849020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.849020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.849020 (E_RNA)
where:
Base-Base interactions energy: -29.538
where: short stacking energy: -13.031
Base-Backbone interact. energy: -0.059
local terms energy: -40.252663
where:
bonds (distance) C4'-P energy: -10.197
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -9.017
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -0.367
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: 8, replica: 2
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -61.210373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.210373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.210373 (E_RNA)
where:
Base-Base interactions energy: -26.391
where: short stacking energy: -21.015
Base-Backbone interact. energy: -0.019
local terms energy: -34.800576
where:
bonds (distance) C4'-P energy: -6.555
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -10.289
flat angles P-C4'-P energy: -4.479
tors. eta vs tors. theta energy: -2.179
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: 3
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -55.794675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.794675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.794675 (E_RNA)
where:
Base-Base interactions energy: -19.792
where: short stacking energy: -15.316
Base-Backbone interact. energy: -0.309
local terms energy: -35.693750
where:
bonds (distance) C4'-P energy: -7.850
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -4.933
tors. eta vs tors. theta energy: 0.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -56.908637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.908637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.908637 (E_RNA)
where:
Base-Base interactions energy: -19.566
where: short stacking energy: -15.433
Base-Backbone interact. energy: -0.017
local terms energy: -37.326181
where:
bonds (distance) C4'-P energy: -6.533
bonds (distance) P-C4' energy: -11.242
flat angles C4'-P-C4' energy: -5.723
flat angles P-C4'-P energy: -4.369
tors. eta vs tors. theta energy: -9.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -129.875703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.875703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.875703 (E_RNA)
where:
Base-Base interactions energy: -82.800
where: short stacking energy: -28.746
Base-Backbone interact. energy: -0.932
local terms energy: -46.144486
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -7.023
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: 2, replica: 10
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -90.443796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.443796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.443796 (E_RNA)
where:
Base-Base interactions energy: -47.067
where: short stacking energy: -33.344
Base-Backbone interact. energy: -0.022
local terms energy: -43.354634
where:
bonds (distance) C4'-P energy: -10.831
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -9.971
flat angles P-C4'-P energy: -5.176
tors. eta vs tors. theta energy: -5.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -87.591364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.591364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.591364 (E_RNA)
where:
Base-Base interactions energy: -38.411
where: short stacking energy: -28.944
Base-Backbone interact. energy: -0.121
local terms energy: -49.059536
where:
bonds (distance) C4'-P energy: -10.186
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -3.620
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: 4, replica: 9
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -77.302989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.302989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.302989 (E_RNA)
where:
Base-Base interactions energy: -47.572
where: short stacking energy: -18.381
Base-Backbone interact. energy: 2.453
local terms energy: -32.184389
where:
bonds (distance) C4'-P energy: -5.039
bonds (distance) P-C4' energy: -11.253
flat angles C4'-P-C4' energy: -6.289
flat angles P-C4'-P energy: -4.367
tors. eta vs tors. theta energy: -5.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -97.244254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.244254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.244254 (E_RNA)
where:
Base-Base interactions energy: -55.340
where: short stacking energy: -31.515
Base-Backbone interact. energy: -0.200
local terms energy: -41.704269
where:
bonds (distance) C4'-P energy: -9.702
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -8.744
flat angles P-C4'-P energy: -5.246
tors. eta vs tors. theta energy: -5.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -66.945395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.945395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.945395 (E_RNA)
where:
Base-Base interactions energy: -24.682
where: short stacking energy: -18.556
Base-Backbone interact. energy: -0.036
local terms energy: -42.227295
where:
bonds (distance) C4'-P energy: -8.410
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -0.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -64.845710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.845710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.845710 (E_RNA)
where:
Base-Base interactions energy: -23.313
where: short stacking energy: -20.352
Base-Backbone interact. energy: -0.105
local terms energy: -41.427651
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -9.178
flat angles P-C4'-P energy: -8.418
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: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -60.913195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.913195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.913195 (E_RNA)
where:
Base-Base interactions energy: -24.480
where: short stacking energy: -23.254
Base-Backbone interact. energy: -0.196
local terms energy: -36.236988
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -5.095
flat angles P-C4'-P energy: -3.671
tors. eta vs tors. theta energy: -3.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -61.663479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.663479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.663479 (E_RNA)
where:
Base-Base interactions energy: -26.430
where: short stacking energy: -26.430
Base-Backbone interact. energy: -0.002
local terms energy: -35.231085
where:
bonds (distance) C4'-P energy: -5.548
bonds (distance) P-C4' energy: -8.636
flat angles C4'-P-C4' energy: -6.764
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -4.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -54.703730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.703730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.703730 (E_RNA)
where:
Base-Base interactions energy: -25.225
where: short stacking energy: -16.308
Base-Backbone interact. energy: -0.289
local terms energy: -29.189724
where:
bonds (distance) C4'-P energy: -3.437
bonds (distance) P-C4' energy: -7.766
flat angles C4'-P-C4' energy: -9.833
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -0.414
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: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -135.240113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.240113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.240113 (E_RNA)
where:
Base-Base interactions energy: -90.035
where: short stacking energy: -31.755
Base-Backbone interact. energy: -0.263
local terms energy: -44.941550
where:
bonds (distance) C4'-P energy: -8.547
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -7.748
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -7.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -87.100678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.100678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.100678 (E_RNA)
where:
Base-Base interactions energy: -40.693
where: short stacking energy: -20.790
Base-Backbone interact. energy: -0.035
local terms energy: -46.372038
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -10.146
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -3.421
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: 10
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -95.200185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.200185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.200185 (E_RNA)
where:
Base-Base interactions energy: -53.766
where: short stacking energy: -24.251
Base-Backbone interact. energy: -1.754
local terms energy: -39.680327
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -9.831
flat angles C4'-P-C4' energy: -7.705
flat angles P-C4'-P energy: -6.409
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: 4, replica: 4
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -89.981916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.981916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.981916 (E_RNA)
where:
Base-Base interactions energy: -41.459
where: short stacking energy: -38.062
Base-Backbone interact. energy: -0.041
local terms energy: -48.481703
where:
bonds (distance) C4'-P energy: -8.621
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -7.910
flat angles P-C4'-P energy: -6.809
tors. eta vs tors. theta energy: -12.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -77.358316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.358316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.358316 (E_RNA)
where:
Base-Base interactions energy: -41.740
where: short stacking energy: -12.026
Base-Backbone interact. energy: -0.119
local terms energy: -35.498718
where:
bonds (distance) C4'-P energy: -8.625
bonds (distance) P-C4' energy: -9.758
flat angles C4'-P-C4' energy: -10.730
flat angles P-C4'-P energy: -7.017
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: 6, replica: 2
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -64.596031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.596031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.596031 (E_RNA)
where:
Base-Base interactions energy: -23.860
where: short stacking energy: -21.785
Base-Backbone interact. energy: -0.245
local terms energy: -40.490585
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -8.600
flat angles P-C4'-P energy: -3.453
tors. eta vs tors. theta energy: -5.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -74.127402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.127402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.127402 (E_RNA)
where:
Base-Base interactions energy: -33.818
where: short stacking energy: -17.988
Base-Backbone interact. energy: -0.250
local terms energy: -40.059410
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -9.725
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: 0.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -65.458499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.458499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.458499 (E_RNA)
where:
Base-Base interactions energy: -32.189
where: short stacking energy: -15.353
Base-Backbone interact. energy: -0.146
local terms energy: -33.123253
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -8.675
flat angles P-C4'-P energy: -3.133
tors. eta vs tors. theta energy: 0.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -54.881857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.881857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.881857 (E_RNA)
where:
Base-Base interactions energy: -18.593
where: short stacking energy: -14.545
Base-Backbone interact. energy: -0.302
local terms energy: -35.987631
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -9.001
flat angles C4'-P-C4' energy: -9.442
flat angles P-C4'-P energy: -7.214
tors. eta vs tors. theta energy: -0.823
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: 3
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -54.671370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.671370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.671370 (E_RNA)
where:
Base-Base interactions energy: -22.963
where: short stacking energy: -18.903
Base-Backbone interact. energy: -0.030
local terms energy: -31.678580
where:
bonds (distance) C4'-P energy: -7.003
bonds (distance) P-C4' energy: -9.446
flat angles C4'-P-C4' energy: -9.225
flat angles P-C4'-P energy: -5.745
tors. eta vs tors. theta energy: -0.260
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: 1
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -133.244619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.244619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.244619 (E_RNA)
where:
Base-Base interactions energy: -84.561
where: short stacking energy: -34.957
Base-Backbone interact. energy: -0.477
local terms energy: -48.207163
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -5.678
flat angles P-C4'-P energy: -6.090
tors. eta vs tors. theta energy: -10.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -89.364137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.364137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.364137 (E_RNA)
where:
Base-Base interactions energy: -51.356
where: short stacking energy: -20.923
Base-Backbone interact. energy: -0.078
local terms energy: -37.929934
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -9.112
flat angles C4'-P-C4' energy: -9.673
flat angles P-C4'-P energy: -4.824
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: 3, replica: 10
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -114.790847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.790847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.790847 (E_RNA)
where:
Base-Base interactions energy: -70.889
where: short stacking energy: -24.970
Base-Backbone interact. energy: -0.728
local terms energy: -43.174347
where:
bonds (distance) C4'-P energy: -9.230
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -4.679
tors. eta vs tors. theta energy: -6.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -71.885779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.885779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.885779 (E_RNA)
where:
Base-Base interactions energy: -27.774
where: short stacking energy: -27.774
Base-Backbone interact. energy: -1.052
local terms energy: -43.059514
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -10.975
flat angles C4'-P-C4' energy: -8.699
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -4.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -76.712459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.712459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.712459 (E_RNA)
where:
Base-Base interactions energy: -41.775
where: short stacking energy: -25.851
Base-Backbone interact. energy: -0.628
local terms energy: -34.309072
where:
bonds (distance) C4'-P energy: -9.122
bonds (distance) P-C4' energy: -7.843
flat angles C4'-P-C4' energy: -5.209
flat angles P-C4'-P energy: -3.620
tors. eta vs tors. theta energy: -8.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -71.879388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.879388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.879388 (E_RNA)
where:
Base-Base interactions energy: -28.374
where: short stacking energy: -22.902
Base-Backbone interact. energy: 2.082
local terms energy: -45.587083
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -9.697
flat angles P-C4'-P energy: -4.475
tors. eta vs tors. theta energy: -7.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -66.441262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.441262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.441262 (E_RNA)
where:
Base-Base interactions energy: -30.050
where: short stacking energy: -22.424
Base-Backbone interact. energy: -0.655
local terms energy: -35.735757
where:
bonds (distance) C4'-P energy: -9.486
bonds (distance) P-C4' energy: -11.574
flat angles C4'-P-C4' energy: -9.738
flat angles P-C4'-P energy: -3.457
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: 8, replica: 6
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -75.711137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.711137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.711137 (E_RNA)
where:
Base-Base interactions energy: -42.810
where: short stacking energy: -24.460
Base-Backbone interact. energy: -0.057
local terms energy: -32.844025
where:
bonds (distance) C4'-P energy: -9.345
bonds (distance) P-C4' energy: -9.013
flat angles C4'-P-C4' energy: -10.046
flat angles P-C4'-P energy: -5.802
tors. eta vs tors. theta energy: 1.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -61.119554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.119554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.119554 (E_RNA)
where:
Base-Base interactions energy: -24.812
where: short stacking energy: -18.685
Base-Backbone interact. energy: -0.102
local terms energy: -36.205237
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -11.313
flat angles C4'-P-C4' energy: -9.875
flat angles P-C4'-P energy: -1.306
tors. eta vs tors. theta energy: -1.126
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: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -51.087398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.087398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.087398 (E_RNA)
where:
Base-Base interactions energy: -23.052
where: short stacking energy: -22.239
Base-Backbone interact. energy: -0.364
local terms energy: -27.671622
where:
bonds (distance) C4'-P energy: -5.748
bonds (distance) P-C4' energy: -12.094
flat angles C4'-P-C4' energy: -5.331
flat angles P-C4'-P energy: -3.577
tors. eta vs tors. theta energy: -0.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -139.022549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.022549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.022549 (E_RNA)
where:
Base-Base interactions energy: -90.503
where: short stacking energy: -35.864
Base-Backbone interact. energy: -0.834
local terms energy: -47.685898
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -9.414
flat angles C4'-P-C4' energy: -9.051
flat angles P-C4'-P energy: -5.922
tors. eta vs tors. theta energy: -10.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -122.671291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.671291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.671291 (E_RNA)
where:
Base-Base interactions energy: -72.530
where: short stacking energy: -42.910
Base-Backbone interact. energy: -0.647
local terms energy: -49.494036
where:
bonds (distance) C4'-P energy: -7.169
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -5.286
tors. eta vs tors. theta energy: -13.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -78.852658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.852658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.852658 (E_RNA)
where:
Base-Base interactions energy: -35.149
where: short stacking energy: -23.733
Base-Backbone interact. energy: -0.305
local terms energy: -43.398978
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -10.073
flat angles C4'-P-C4' energy: -10.215
flat angles P-C4'-P energy: -5.784
tors. eta vs tors. theta energy: -7.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -83.153688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.153688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.153688 (E_RNA)
where:
Base-Base interactions energy: -54.803
where: short stacking energy: -25.871
Base-Backbone interact. energy: -0.061
local terms energy: -28.288863
where:
bonds (distance) C4'-P energy: -5.906
bonds (distance) P-C4' energy: -9.016
flat angles C4'-P-C4' energy: -9.809
flat angles P-C4'-P energy: 0.978
tors. eta vs tors. theta energy: -4.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -78.668780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.668780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.668780 (E_RNA)
where:
Base-Base interactions energy: -35.000
where: short stacking energy: -18.205
Base-Backbone interact. energy: -0.093
local terms energy: -43.576539
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: -5.927
tors. eta vs tors. theta energy: -2.298
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: 6, replica: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -69.528674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.528674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.528674 (E_RNA)
where:
Base-Base interactions energy: -29.446
where: short stacking energy: -25.062
Base-Backbone interact. energy: 0.212
local terms energy: -40.294344
where:
bonds (distance) C4'-P energy: -8.680
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -6.432
tors. eta vs tors. theta energy: -1.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -74.169857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.169857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.169857 (E_RNA)
where:
Base-Base interactions energy: -29.754
where: short stacking energy: -24.964
Base-Backbone interact. energy: 0.304
local terms energy: -44.720603
where:
bonds (distance) C4'-P energy: -10.685
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -10.676
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -4.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -59.951482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.951482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.951482 (E_RNA)
where:
Base-Base interactions energy: -21.955
where: short stacking energy: -20.821
Base-Backbone interact. energy: -0.067
local terms energy: -37.928680
where:
bonds (distance) C4'-P energy: -10.222
bonds (distance) P-C4' energy: -9.227
flat angles C4'-P-C4' energy: -10.313
flat angles P-C4'-P energy: -6.119
tors. eta vs tors. theta energy: -2.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -56.995266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.995266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.995266 (E_RNA)
where:
Base-Base interactions energy: -17.777
where: short stacking energy: -15.120
Base-Backbone interact. energy: -0.030
local terms energy: -39.187621
where:
bonds (distance) C4'-P energy: -8.844
bonds (distance) P-C4' energy: -11.060
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: 0.288
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: 25
Temperature: 1.350000
Total energy: -63.358686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.358686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.358686 (E_RNA)
where:
Base-Base interactions energy: -22.166
where: short stacking energy: -20.983
Base-Backbone interact. energy: -0.001
local terms energy: -41.191383
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -8.619
flat angles P-C4'-P energy: -4.017
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: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -142.320846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.320846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.320846 (E_RNA)
where:
Base-Base interactions energy: -90.477
where: short stacking energy: -42.643
Base-Backbone interact. energy: -0.120
local terms energy: -51.723598
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -10.327
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: -11.610
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: 10
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -132.555279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.555279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.555279 (E_RNA)
where:
Base-Base interactions energy: -75.341
where: short stacking energy: -44.616
Base-Backbone interact. energy: -0.028
local terms energy: -57.186260
where:
bonds (distance) C4'-P energy: -10.367
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: -14.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -95.316644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.316644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.316644 (E_RNA)
where:
Base-Base interactions energy: -58.118
where: short stacking energy: -24.932
Base-Backbone interact. energy: -0.121
local terms energy: -37.077247
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -6.980
flat angles C4'-P-C4' energy: -7.516
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -3.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -87.230293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.230293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.230293 (E_RNA)
where:
Base-Base interactions energy: -33.785
where: short stacking energy: -29.509
Base-Backbone interact. energy: -0.076
local terms energy: -53.369663
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -10.449
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -10.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -63.722128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.722128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.722128 (E_RNA)
where:
Base-Base interactions energy: -23.307
where: short stacking energy: -23.135
Base-Backbone interact. energy: -0.002
local terms energy: -40.412730
where:
bonds (distance) C4'-P energy: -9.288
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -9.281
flat angles P-C4'-P energy: -8.205
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: 6, replica: 7
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -62.608093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.608093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.608093 (E_RNA)
where:
Base-Base interactions energy: -18.393
where: short stacking energy: -14.961
Base-Backbone interact. energy: -1.353
local terms energy: -42.861855
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -10.163
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -2.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -63.512177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.512177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.512177 (E_RNA)
where:
Base-Base interactions energy: -29.241
where: short stacking energy: -22.142
Base-Backbone interact. energy: -0.148
local terms energy: -34.124057
where:
bonds (distance) C4'-P energy: -9.002
bonds (distance) P-C4' energy: -6.091
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -5.386
tors. eta vs tors. theta energy: -2.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -61.591317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.591317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.591317 (E_RNA)
where:
Base-Base interactions energy: -22.796
where: short stacking energy: -16.710
Base-Backbone interact. energy: -0.778
local terms energy: -38.017351
where:
bonds (distance) C4'-P energy: -7.834
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -5.580
tors. eta vs tors. theta energy: 1.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -55.220056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.220056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.220056 (E_RNA)
where:
Base-Base interactions energy: -24.006
where: short stacking energy: -8.897
Base-Backbone interact. energy: -0.309
local terms energy: -30.904835
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -4.564
flat angles P-C4'-P energy: -5.306
tors. eta vs tors. theta energy: 3.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -62.601183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.601183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.601183 (E_RNA)
where:
Base-Base interactions energy: -23.821
where: short stacking energy: -23.821
Base-Backbone interact. energy: 2.040
local terms energy: -40.819610
where:
bonds (distance) C4'-P energy: -9.009
bonds (distance) P-C4' energy: -10.100
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -2.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -133.280897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.280897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.280897 (E_RNA)
where:
Base-Base interactions energy: -84.748
where: short stacking energy: -38.386
Base-Backbone interact. energy: -1.402
local terms energy: -47.131338
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -10.784
flat angles C4'-P-C4' energy: -4.770
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -11.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -131.576674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.576674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.576674 (E_RNA)
where:
Base-Base interactions energy: -77.304
where: short stacking energy: -45.677
Base-Backbone interact. energy: -0.007
local terms energy: -54.265090
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -11.777
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -12.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -89.445234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.445234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.445234 (E_RNA)
where:
Base-Base interactions energy: -47.243
where: short stacking energy: -27.970
Base-Backbone interact. energy: -1.031
local terms energy: -41.171226
where:
bonds (distance) C4'-P energy: -10.028
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -8.392
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -4.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -79.487254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.487254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.487254 (E_RNA)
where:
Base-Base interactions energy: -30.376
where: short stacking energy: -25.165
Base-Backbone interact. energy: -0.006
local terms energy: -49.104998
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -4.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -69.743736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.743736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.743736 (E_RNA)
where:
Base-Base interactions energy: -31.342
where: short stacking energy: -29.558
Base-Backbone interact. energy: -0.149
local terms energy: -38.252803
where:
bonds (distance) C4'-P energy: -9.469
bonds (distance) P-C4' energy: -8.332
flat angles C4'-P-C4' energy: -10.280
flat angles P-C4'-P energy: -5.660
tors. eta vs tors. theta energy: -4.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -66.030752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.030752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.030752 (E_RNA)
where:
Base-Base interactions energy: -22.370
where: short stacking energy: -22.370
Base-Backbone interact. energy: -0.000
local terms energy: -43.660047
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -9.426
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -5.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -68.651060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.651060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.651060 (E_RNA)
where:
Base-Base interactions energy: -32.791
where: short stacking energy: -24.307
Base-Backbone interact. energy: -0.050
local terms energy: -35.809565
where:
bonds (distance) C4'-P energy: -9.341
bonds (distance) P-C4' energy: -7.769
flat angles C4'-P-C4' energy: -8.371
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: -3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -60.083283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.083283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.083283 (E_RNA)
where:
Base-Base interactions energy: -26.454
where: short stacking energy: -18.765
Base-Backbone interact. energy: -0.119
local terms energy: -33.510209
where:
bonds (distance) C4'-P energy: -6.335
bonds (distance) P-C4' energy: -8.770
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: 0.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -60.227596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.227596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.227596 (E_RNA)
where:
Base-Base interactions energy: -13.246
where: short stacking energy: -13.246
Base-Backbone interact. energy: -0.142
local terms energy: -46.840163
where:
bonds (distance) C4'-P energy: -9.106
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -5.729
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: 3
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -55.228446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.228446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.228446 (E_RNA)
where:
Base-Base interactions energy: -18.357
where: short stacking energy: -18.357
Base-Backbone interact. energy: -0.081
local terms energy: -36.791296
where:
bonds (distance) C4'-P energy: -9.990
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -7.579
flat angles P-C4'-P energy: -6.552
tors. eta vs tors. theta energy: -0.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -125.365394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.365394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.365394 (E_RNA)
where:
Base-Base interactions energy: -69.381
where: short stacking energy: -42.469
Base-Backbone interact. energy: -0.023
local terms energy: -55.961092
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -11.497
flat angles C4'-P-C4' energy: -10.561
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -15.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -128.480614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.480614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.480614 (E_RNA)
where:
Base-Base interactions energy: -85.388
where: short stacking energy: -31.687
Base-Backbone interact. energy: -0.613
local terms energy: -42.479392
where:
bonds (distance) C4'-P energy: -8.670
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -9.993
flat angles P-C4'-P energy: -4.232
tors. eta vs tors. theta energy: -8.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -105.116906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.116906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.116906 (E_RNA)
where:
Base-Base interactions energy: -64.639
where: short stacking energy: -29.124
Base-Backbone interact. energy: -0.441
local terms energy: -40.037099
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -9.195
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -0.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -74.047482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.047482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.047482 (E_RNA)
where:
Base-Base interactions energy: -33.368
where: short stacking energy: -33.368
Base-Backbone interact. energy: -0.140
local terms energy: -40.539498
where:
bonds (distance) C4'-P energy: -10.976
bonds (distance) P-C4' energy: -7.572
flat angles C4'-P-C4' energy: -9.022
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -5.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -68.839193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.839193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.839193 (E_RNA)
where:
Base-Base interactions energy: -21.172
where: short stacking energy: -16.132
Base-Backbone interact. energy: -0.278
local terms energy: -47.389297
where:
bonds (distance) C4'-P energy: -9.839
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -4.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -78.935959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.935959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.935959 (E_RNA)
where:
Base-Base interactions energy: -34.940
where: short stacking energy: -26.820
Base-Backbone interact. energy: -0.029
local terms energy: -43.966792
where:
bonds (distance) C4'-P energy: -9.403
bonds (distance) P-C4' energy: -9.591
flat angles C4'-P-C4' energy: -7.327
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -9.490
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: 7, replica: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -60.627683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.627683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.627683 (E_RNA)
where:
Base-Base interactions energy: -17.662
where: short stacking energy: -17.636
Base-Backbone interact. energy: -0.027
local terms energy: -42.938843
where:
bonds (distance) C4'-P energy: -8.990
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -10.359
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -3.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -60.185490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.185490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.185490 (E_RNA)
where:
Base-Base interactions energy: -13.754
where: short stacking energy: -13.754
Base-Backbone interact. energy: -0.150
local terms energy: -46.281503
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -4.223
tors. eta vs tors. theta energy: -7.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -56.831921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.831921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.831921 (E_RNA)
where:
Base-Base interactions energy: -27.250
where: short stacking energy: -27.200
Base-Backbone interact. energy: -0.248
local terms energy: -29.333997
where:
bonds (distance) C4'-P energy: -6.593
bonds (distance) P-C4' energy: -9.536
flat angles C4'-P-C4' energy: -7.639
flat angles P-C4'-P energy: 0.252
tors. eta vs tors. theta energy: -5.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -52.610980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.610980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.610980 (E_RNA)
where:
Base-Base interactions energy: -21.221
where: short stacking energy: -8.766
Base-Backbone interact. energy: -0.429
local terms energy: -30.961400
where:
bonds (distance) C4'-P energy: -7.665
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -7.346
flat angles P-C4'-P energy: -5.841
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: 10
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -132.942278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.942278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.942278 (E_RNA)
where:
Base-Base interactions energy: -79.566
where: short stacking energy: -39.554
Base-Backbone interact. energy: -0.331
local terms energy: -53.044563
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -9.052
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: 2, replica: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -129.698886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.698886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.698886 (E_RNA)
where:
Base-Base interactions energy: -80.064
where: short stacking energy: -34.306
Base-Backbone interact. energy: -0.677
local terms energy: -48.957829
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -4.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -99.552182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.552182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.552182 (E_RNA)
where:
Base-Base interactions energy: -57.129
where: short stacking energy: -20.840
Base-Backbone interact. energy: -0.709
local terms energy: -41.713445
where:
bonds (distance) C4'-P energy: -7.403
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: -4.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -80.313229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.313229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.313229 (E_RNA)
where:
Base-Base interactions energy: -33.986
where: short stacking energy: -25.597
Base-Backbone interact. energy: -0.084
local terms energy: -46.243489
where:
bonds (distance) C4'-P energy: -7.316
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -10.216
flat angles P-C4'-P energy: -8.658
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: 5, replica: 6
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -76.502908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.502908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.502908 (E_RNA)
where:
Base-Base interactions energy: -38.568
where: short stacking energy: -19.888
Base-Backbone interact. energy: -0.154
local terms energy: -37.780253
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -10.100
flat angles P-C4'-P energy: -4.933
tors. eta vs tors. theta energy: -0.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -72.161661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.161661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.161661 (E_RNA)
where:
Base-Base interactions energy: -27.743
where: short stacking energy: -22.118
Base-Backbone interact. energy: -0.112
local terms energy: -44.306599
where:
bonds (distance) C4'-P energy: -9.856
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -5.531
tors. eta vs tors. theta energy: -6.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -66.015881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.015881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.015881 (E_RNA)
where:
Base-Base interactions energy: -24.483
where: short stacking energy: -16.641
Base-Backbone interact. energy: -0.099
local terms energy: -41.433701
where:
bonds (distance) C4'-P energy: -7.489
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -10.212
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -3.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -59.839751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.839751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.839751 (E_RNA)
where:
Base-Base interactions energy: -23.024
where: short stacking energy: -20.923
Base-Backbone interact. energy: -0.013
local terms energy: -36.803176
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -9.781
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: 0.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -55.523998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.523998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.523998 (E_RNA)
where:
Base-Base interactions energy: -21.018
where: short stacking energy: -20.930
Base-Backbone interact. energy: -0.354
local terms energy: -34.152500
where:
bonds (distance) C4'-P energy: -8.011
bonds (distance) P-C4' energy: -10.178
flat angles C4'-P-C4' energy: -8.394
flat angles P-C4'-P energy: -4.847
tors. eta vs tors. theta energy: -2.723
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: 3
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -56.687173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.687173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.687173 (E_RNA)
where:
Base-Base interactions energy: -22.894
where: short stacking energy: -18.910
Base-Backbone interact. energy: -0.001
local terms energy: -33.792451
where:
bonds (distance) C4'-P energy: -7.507
bonds (distance) P-C4' energy: -8.781
flat angles C4'-P-C4' energy: -8.439
flat angles P-C4'-P energy: -1.787
tors. eta vs tors. theta energy: -7.279
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: 1, replica: 10
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -129.876853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.876853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.876853 (E_RNA)
where:
Base-Base interactions energy: -74.821
where: short stacking energy: -34.278
Base-Backbone interact. energy: -0.001
local terms energy: -55.054606
where:
bonds (distance) C4'-P energy: -9.424
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -11.286
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: 1
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -121.320099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.320099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.320099 (E_RNA)
where:
Base-Base interactions energy: -75.007
where: short stacking energy: -33.029
Base-Backbone interact. energy: -1.018
local terms energy: -45.295387
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -10.960
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -5.229
tors. eta vs tors. theta energy: -7.255
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: 30
Temperature: 1.000000
Total energy: -93.836294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.836294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.836294 (E_RNA)
where:
Base-Base interactions energy: -48.525
where: short stacking energy: -17.663
Base-Backbone interact. energy: -0.770
local terms energy: -44.540927
where:
bonds (distance) C4'-P energy: -10.569
bonds (distance) P-C4' energy: -9.272
flat angles C4'-P-C4' energy: -10.042
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -4.890
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: 4
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -77.549059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.549059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.549059 (E_RNA)
where:
Base-Base interactions energy: -41.617
where: short stacking energy: -25.392
Base-Backbone interact. energy: -0.046
local terms energy: -35.886562
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -9.439
flat angles C4'-P-C4' energy: -3.564
flat angles P-C4'-P energy: -4.640
tors. eta vs tors. theta energy: -6.956
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: 8
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -80.008490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.008490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.008490 (E_RNA)
where:
Base-Base interactions energy: -39.656
where: short stacking energy: -26.743
Base-Backbone interact. energy: -0.128
local terms energy: -40.224461
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -7.582
flat angles C4'-P-C4' energy: -7.971
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -5.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -61.778393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.778393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.778393 (E_RNA)
where:
Base-Base interactions energy: -25.826
where: short stacking energy: -16.718
Base-Backbone interact. energy: -0.065
local terms energy: -35.887387
where:
bonds (distance) C4'-P energy: -9.444
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -7.368
flat angles P-C4'-P energy: -2.590
tors. eta vs tors. theta energy: -3.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -59.959507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.959507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.959507 (E_RNA)
where:
Base-Base interactions energy: -23.190
where: short stacking energy: -12.790
Base-Backbone interact. energy: -0.056
local terms energy: -36.713633
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -12.254
flat angles C4'-P-C4' energy: -7.087
flat angles P-C4'-P energy: -5.455
tors. eta vs tors. theta energy: -0.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -62.449538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.449538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.449538 (E_RNA)
where:
Base-Base interactions energy: -29.955
where: short stacking energy: -14.274
Base-Backbone interact. energy: -0.128
local terms energy: -32.366560
where:
bonds (distance) C4'-P energy: -9.796
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -6.615
flat angles P-C4'-P energy: -4.838
tors. eta vs tors. theta energy: 0.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -69.931198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.931198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.931198 (E_RNA)
where:
Base-Base interactions energy: -25.249
where: short stacking energy: -18.831
Base-Backbone interact. energy: -0.062
local terms energy: -44.620169
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -8.505
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -4.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -53.240372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.240372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.240372 (E_RNA)
where:
Base-Base interactions energy: -15.982
where: short stacking energy: -12.110
Base-Backbone interact. energy: -0.101
local terms energy: -37.158010
where:
bonds (distance) C4'-P energy: -9.458
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -9.766
flat angles P-C4'-P energy: -5.713
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: 1, replica: 10
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -139.209646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.209646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.209646 (E_RNA)
where:
Base-Base interactions energy: -79.814
where: short stacking energy: -47.566
Base-Backbone interact. energy: -2.329
local terms energy: -57.066476
where:
bonds (distance) C4'-P energy: -11.187
bonds (distance) P-C4' energy: -10.203
flat angles C4'-P-C4' energy: -11.778
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -14.438
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: 9
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -97.629376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.629376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.629376 (E_RNA)
where:
Base-Base interactions energy: -56.903
where: short stacking energy: -31.882
Base-Backbone interact. energy: -0.033
local terms energy: -40.693276
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -6.849
flat angles P-C4'-P energy: -2.203
tors. eta vs tors. theta energy: -9.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -118.895583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.895583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.895583 (E_RNA)
where:
Base-Base interactions energy: -76.107
where: short stacking energy: -22.632
Base-Backbone interact. energy: -1.009
local terms energy: -41.779349
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -10.186
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -2.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -74.064832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.064832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.064832 (E_RNA)
where:
Base-Base interactions energy: -30.844
where: short stacking energy: -23.510
Base-Backbone interact. energy: -0.296
local terms energy: -42.925283
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -4.670
tors. eta vs tors. theta energy: -3.150
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: 31
Temperature: 1.100000
Total energy: -75.785383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.785383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.785383 (E_RNA)
where:
Base-Base interactions energy: -27.196
where: short stacking energy: -23.027
Base-Backbone interact. energy: -0.001
local terms energy: -48.588615
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -11.781
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -5.153
tors. eta vs tors. theta energy: -6.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -66.998572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.998572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.998572 (E_RNA)
where:
Base-Base interactions energy: -28.174
where: short stacking energy: -10.460
Base-Backbone interact. energy: -0.138
local terms energy: -38.686467
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -9.389
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -1.485
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: 31
Temperature: 1.200000
Total energy: -70.073476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.073476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.073476 (E_RNA)
where:
Base-Base interactions energy: -23.867
where: short stacking energy: -23.709
Base-Backbone interact. energy: -0.091
local terms energy: -46.115971
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -11.261
flat angles C4'-P-C4' energy: -9.936
flat angles P-C4'-P energy: -5.707
tors. eta vs tors. theta energy: -7.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -65.263708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.263708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.263708 (E_RNA)
where:
Base-Base interactions energy: -23.022
where: short stacking energy: -19.386
Base-Backbone interact. energy: -0.223
local terms energy: -42.018794
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -11.987
flat angles C4'-P-C4' energy: -7.827
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -4.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -62.396374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.396374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.396374 (E_RNA)
where:
Base-Base interactions energy: -31.514
where: short stacking energy: -18.512
Base-Backbone interact. energy: -0.462
local terms energy: -30.420482
where:
bonds (distance) C4'-P energy: -8.845
bonds (distance) P-C4' energy: -10.687
flat angles C4'-P-C4' energy: -3.408
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: 1.715
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: 7
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -50.551866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.551866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.551866 (E_RNA)
where:
Base-Base interactions energy: -12.061
where: short stacking energy: -12.061
Base-Backbone interact. energy: -0.058
local terms energy: -38.432787
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -10.247
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -4.902
tors. eta vs tors. theta energy: -1.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -136.952377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.952377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.952377 (E_RNA)
where:
Base-Base interactions energy: -77.659
where: short stacking energy: -47.306
Base-Backbone interact. energy: -0.001
local terms energy: -59.292049
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -14.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -69.965105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.965105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.965105 (E_RNA)
where:
Base-Base interactions energy: -29.474
where: short stacking energy: -20.682
Base-Backbone interact. energy: -0.116
local terms energy: -40.375105
where:
bonds (distance) C4'-P energy: -10.674
bonds (distance) P-C4' energy: -8.337
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -4.883
tors. eta vs tors. theta energy: -4.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -123.316883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.316883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.316883 (E_RNA)
where:
Base-Base interactions energy: -72.929
where: short stacking energy: -24.739
Base-Backbone interact. energy: -0.884
local terms energy: -49.504322
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -6.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -85.067001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.067001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.067001 (E_RNA)
where:
Base-Base interactions energy: -45.273
where: short stacking energy: -20.929
Base-Backbone interact. energy: -0.126
local terms energy: -39.668628
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -9.472
flat angles C4'-P-C4' energy: -11.158
flat angles P-C4'-P energy: -4.416
tors. eta vs tors. theta energy: -3.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -69.184617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.184617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.184617 (E_RNA)
where:
Base-Base interactions energy: -32.956
where: short stacking energy: -19.788
Base-Backbone interact. energy: -0.245
local terms energy: -35.983890
where:
bonds (distance) C4'-P energy: -7.188
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -7.562
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -2.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -75.102571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.102571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.102571 (E_RNA)
where:
Base-Base interactions energy: -35.335
where: short stacking energy: -24.823
Base-Backbone interact. energy: -1.023
local terms energy: -38.744676
where:
bonds (distance) C4'-P energy: -8.848
bonds (distance) P-C4' energy: -10.793
flat angles C4'-P-C4' energy: -9.725
flat angles P-C4'-P energy: -4.643
tors. eta vs tors. theta energy: -4.735
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: 6
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -66.356851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.356851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.356851 (E_RNA)
where:
Base-Base interactions energy: -26.717
where: short stacking energy: -20.561
Base-Backbone interact. energy: -0.304
local terms energy: -39.336170
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -9.456
flat angles C4'-P-C4' energy: -8.060
flat angles P-C4'-P energy: -4.570
tors. eta vs tors. theta energy: -5.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -52.742801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.742801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.742801 (E_RNA)
where:
Base-Base interactions energy: -13.491
where: short stacking energy: -13.365
Base-Backbone interact. energy: -0.103
local terms energy: -39.148800
where:
bonds (distance) C4'-P energy: -9.710
bonds (distance) P-C4' energy: -10.158
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -0.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -59.676970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.676970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.676970 (E_RNA)
where:
Base-Base interactions energy: -21.837
where: short stacking energy: -18.426
Base-Backbone interact. energy: -0.131
local terms energy: -37.709177
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -11.610
flat angles C4'-P-C4' energy: -9.868
flat angles P-C4'-P energy: -2.712
tors. eta vs tors. theta energy: -2.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -55.224163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.224163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.224163 (E_RNA)
where:
Base-Base interactions energy: -20.170
where: short stacking energy: -12.948
Base-Backbone interact. energy: -0.041
local terms energy: -35.013050
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -8.638
flat angles C4'-P-C4' energy: -9.710
flat angles P-C4'-P energy: -4.196
tors. eta vs tors. theta energy: -2.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -127.174917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.174917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.174917 (E_RNA)
where:
Base-Base interactions energy: -76.166
where: short stacking energy: -39.411
Base-Backbone interact. energy: -0.001
local terms energy: -51.008337
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: -7.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -122.613580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.613580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.613580 (E_RNA)
where:
Base-Base interactions energy: -74.885
where: short stacking energy: -31.679
Base-Backbone interact. energy: -0.521
local terms energy: -47.206972
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -10.125
flat angles C4'-P-C4' energy: -10.229
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -9.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -88.103071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.103071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.103071 (E_RNA)
where:
Base-Base interactions energy: -36.610
where: short stacking energy: -29.480
Base-Backbone interact. energy: -0.007
local terms energy: -51.486627
where:
bonds (distance) C4'-P energy: -9.893
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -8.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -80.757623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.757623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.757623 (E_RNA)
where:
Base-Base interactions energy: -40.086
where: short stacking energy: -31.495
Base-Backbone interact. energy: -0.210
local terms energy: -40.461530
where:
bonds (distance) C4'-P energy: -8.608
bonds (distance) P-C4' energy: -7.441
flat angles C4'-P-C4' energy: -9.759
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -7.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -75.396600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.396600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.396600 (E_RNA)
where:
Base-Base interactions energy: -27.621
where: short stacking energy: -27.621
Base-Backbone interact. energy: -0.099
local terms energy: -47.676669
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -70.646718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.646718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.646718 (E_RNA)
where:
Base-Base interactions energy: -30.393
where: short stacking energy: -16.710
Base-Backbone interact. energy: -0.541
local terms energy: -39.712078
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -10.200
flat angles C4'-P-C4' energy: -10.077
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -1.547
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: 4
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -61.313740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.313740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.313740 (E_RNA)
where:
Base-Base interactions energy: -18.039
where: short stacking energy: -18.039
Base-Backbone interact. energy: -0.059
local terms energy: -43.216244
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -9.878
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -2.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -56.217646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.217646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.217646 (E_RNA)
where:
Base-Base interactions energy: -26.309
where: short stacking energy: -9.328
Base-Backbone interact. energy: -0.178
local terms energy: -29.731366
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -10.206
flat angles C4'-P-C4' energy: -4.607
flat angles P-C4'-P energy: -1.869
tors. eta vs tors. theta energy: -2.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -57.889461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.889461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.889461 (E_RNA)
where:
Base-Base interactions energy: -21.755
where: short stacking energy: -16.539
Base-Backbone interact. energy: -0.107
local terms energy: -36.028120
where:
bonds (distance) C4'-P energy: -8.736
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -10.034
flat angles P-C4'-P energy: -3.090
tors. eta vs tors. theta energy: -3.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -56.795569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.795569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.795569 (E_RNA)
where:
Base-Base interactions energy: -22.575
where: short stacking energy: -22.575
Base-Backbone interact. energy: 4.397
local terms energy: -38.617990
where:
bonds (distance) C4'-P energy: -6.493
bonds (distance) P-C4' energy: -9.337
flat angles C4'-P-C4' energy: -10.600
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -5.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -131.015437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.015437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.015437 (E_RNA)
where:
Base-Base interactions energy: -80.548
where: short stacking energy: -31.349
Base-Backbone interact. energy: -0.224
local terms energy: -50.242942
where:
bonds (distance) C4'-P energy: -8.525
bonds (distance) P-C4' energy: -10.327
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -9.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -125.711828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.711828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.711828 (E_RNA)
where:
Base-Base interactions energy: -73.927
where: short stacking energy: -39.472
Base-Backbone interact. energy: -0.052
local terms energy: -51.733278
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -4.875
tors. eta vs tors. theta energy: -11.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -78.218625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.218625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.218625 (E_RNA)
where:
Base-Base interactions energy: -37.293
where: short stacking energy: -20.141
Base-Backbone interact. energy: -0.056
local terms energy: -40.869605
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -9.010
flat angles P-C4'-P energy: -2.398
tors. eta vs tors. theta energy: -5.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -98.036142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.036142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.036142 (E_RNA)
where:
Base-Base interactions energy: -55.644
where: short stacking energy: -22.236
Base-Backbone interact. energy: -0.177
local terms energy: -42.215002
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -9.616
flat angles C4'-P-C4' energy: -7.164
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -3.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -66.405095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.405095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.405095 (E_RNA)
where:
Base-Base interactions energy: -29.709
where: short stacking energy: -19.597
Base-Backbone interact. energy: -0.112
local terms energy: -36.584578
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -10.208
flat angles C4'-P-C4' energy: -11.227
flat angles P-C4'-P energy: -6.100
tors. eta vs tors. theta energy: 1.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -68.170084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.170084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.170084 (E_RNA)
where:
Base-Base interactions energy: -27.199
where: short stacking energy: -19.640
Base-Backbone interact. energy: 0.170
local terms energy: -41.141323
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -3.646
tors. eta vs tors. theta energy: -2.811
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: 7, replica: 7
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -54.845309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.845309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.845309 (E_RNA)
where:
Base-Base interactions energy: -14.255
where: short stacking energy: -10.599
Base-Backbone interact. energy: -0.225
local terms energy: -40.366089
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -9.476
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: 0.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -59.485451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.485451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.485451 (E_RNA)
where:
Base-Base interactions energy: -23.470
where: short stacking energy: -23.470
Base-Backbone interact. energy: -0.070
local terms energy: -35.945534
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -8.409
flat angles P-C4'-P energy: -2.211
tors. eta vs tors. theta energy: -2.535
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: 5
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -57.720927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.720927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.720927 (E_RNA)
where:
Base-Base interactions energy: -18.972
where: short stacking energy: -16.004
Base-Backbone interact. energy: -0.599
local terms energy: -38.150541
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -10.262
flat angles C4'-P-C4' energy: -6.504
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -4.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -57.238329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.238329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.238329 (E_RNA)
where:
Base-Base interactions energy: -15.686
where: short stacking energy: -15.686
Base-Backbone interact. energy: -0.468
local terms energy: -41.084313
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -3.396
tors. eta vs tors. theta energy: -1.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -126.561821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.561821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.561821 (E_RNA)
where:
Base-Base interactions energy: -80.491
where: short stacking energy: -34.497
Base-Backbone interact. energy: -1.160
local terms energy: -44.910826
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -11.656
flat angles C4'-P-C4' energy: -7.742
flat angles P-C4'-P energy: -6.541
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: 2, replica: 10
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -104.486859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.486859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.486859 (E_RNA)
where:
Base-Base interactions energy: -60.065
where: short stacking energy: -25.364
Base-Backbone interact. energy: -0.550
local terms energy: -43.872025
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -9.710
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -3.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -76.975282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.975282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.975282 (E_RNA)
where:
Base-Base interactions energy: -28.663
where: short stacking energy: -28.663
Base-Backbone interact. energy: -0.059
local terms energy: -48.253635
where:
bonds (distance) C4'-P energy: -10.284
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -3.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -120.467323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.467323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.467323 (E_RNA)
where:
Base-Base interactions energy: -73.011
where: short stacking energy: -37.771
Base-Backbone interact. energy: -0.000
local terms energy: -47.455687
where:
bonds (distance) C4'-P energy: -8.360
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -8.523
flat angles P-C4'-P energy: -7.552
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: 5, replica: 6
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -94.085915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.085915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.085915 (E_RNA)
where:
Base-Base interactions energy: -45.252
where: short stacking energy: -35.532
Base-Backbone interact. energy: -0.022
local terms energy: -48.811414
where:
bonds (distance) C4'-P energy: -9.150
bonds (distance) P-C4' energy: -8.320
flat angles C4'-P-C4' energy: -10.676
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -11.705
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: 6, replica: 8
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -64.941549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.941549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.941549 (E_RNA)
where:
Base-Base interactions energy: -24.927
where: short stacking energy: -18.914
Base-Backbone interact. energy: -0.051
local terms energy: -39.963867
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -8.949
flat angles C4'-P-C4' energy: -10.333
flat angles P-C4'-P energy: -5.590
tors. eta vs tors. theta energy: -4.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -70.538477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.538477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.538477 (E_RNA)
where:
Base-Base interactions energy: -32.831
where: short stacking energy: -21.978
Base-Backbone interact. energy: -0.153
local terms energy: -37.555362
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -8.412
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: 0.466
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: 5
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -59.995885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.995885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.995885 (E_RNA)
where:
Base-Base interactions energy: -22.528
where: short stacking energy: -22.528
Base-Backbone interact. energy: -0.052
local terms energy: -37.415168
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -8.942
flat angles P-C4'-P energy: -0.395
tors. eta vs tors. theta energy: -4.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -56.575226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.575226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.575226 (E_RNA)
where:
Base-Base interactions energy: -11.034
where: short stacking energy: -11.034
Base-Backbone interact. energy: -0.017
local terms energy: -45.523349
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -5.898
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -55.359206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.359206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.359206 (E_RNA)
where:
Base-Base interactions energy: -18.153
where: short stacking energy: -14.545
Base-Backbone interact. energy: -0.168
local terms energy: -37.038205
where:
bonds (distance) C4'-P energy: -9.096
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -6.893
flat angles P-C4'-P energy: -6.218
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: 1, replica: 10
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -133.432140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.432140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.432140 (E_RNA)
where:
Base-Base interactions energy: -84.919
where: short stacking energy: -32.564
Base-Backbone interact. energy: -1.032
local terms energy: -47.481772
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -8.982
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -9.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -133.564214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.564214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.564214 (E_RNA)
where:
Base-Base interactions energy: -82.630
where: short stacking energy: -30.800
Base-Backbone interact. energy: -1.111
local terms energy: -49.823492
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -10.389
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -5.860
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: 3, replica: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -94.529616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.529616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.529616 (E_RNA)
where:
Base-Base interactions energy: -50.269
where: short stacking energy: -27.483
Base-Backbone interact. energy: -0.447
local terms energy: -43.813484
where:
bonds (distance) C4'-P energy: -9.854
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -9.545
flat angles P-C4'-P energy: -2.867
tors. eta vs tors. theta energy: -9.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -76.864922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.864922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.864922 (E_RNA)
where:
Base-Base interactions energy: -34.176
where: short stacking energy: -34.176
Base-Backbone interact. energy: -0.004
local terms energy: -42.685026
where:
bonds (distance) C4'-P energy: -8.882
bonds (distance) P-C4' energy: -7.660
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -7.110
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: 5, replica: 6
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -73.291475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.291475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.291475 (E_RNA)
where:
Base-Base interactions energy: -28.079
where: short stacking energy: -28.079
Base-Backbone interact. energy: -0.010
local terms energy: -45.202052
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -8.498
flat angles C4'-P-C4' energy: -7.621
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -8.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -66.091608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.091608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.091608 (E_RNA)
where:
Base-Base interactions energy: -25.776
where: short stacking energy: -19.148
Base-Backbone interact. energy: -0.015
local terms energy: -40.300122
where:
bonds (distance) C4'-P energy: -7.462
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -7.001
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: 7, replica: 5
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -61.370808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.370808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.370808 (E_RNA)
where:
Base-Base interactions energy: -16.488
where: short stacking energy: -16.488
Base-Backbone interact. energy: -0.018
local terms energy: -44.864532
where:
bonds (distance) C4'-P energy: -10.219
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -2.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -59.499226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.499226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.499226 (E_RNA)
where:
Base-Base interactions energy: -20.656
where: short stacking energy: -18.192
Base-Backbone interact. energy: 0.096
local terms energy: -38.939047
where:
bonds (distance) C4'-P energy: -9.030
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -10.074
flat angles P-C4'-P energy: -4.403
tors. eta vs tors. theta energy: -1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -56.961027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.961027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.961027 (E_RNA)
where:
Base-Base interactions energy: -22.659
where: short stacking energy: -20.162
Base-Backbone interact. energy: -0.148
local terms energy: -34.153833
where:
bonds (distance) C4'-P energy: -3.157
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -7.317
flat angles P-C4'-P energy: -6.649
tors. eta vs tors. theta energy: -4.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -57.272145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.272145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.272145 (E_RNA)
where:
Base-Base interactions energy: -18.576
where: short stacking energy: -14.562
Base-Backbone interact. energy: -0.892
local terms energy: -37.804380
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -9.656
flat angles P-C4'-P energy: -7.047
tors. eta vs tors. theta energy: 0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -132.318737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.318737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.318737 (E_RNA)
where:
Base-Base interactions energy: -78.707
where: short stacking energy: -37.852
Base-Backbone interact. energy: -0.408
local terms energy: -53.203164
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -6.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -115.020803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.020803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.020803 (E_RNA)
where:
Base-Base interactions energy: -70.241
where: short stacking energy: -30.082
Base-Backbone interact. energy: -0.212
local terms energy: -44.567457
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -4.015
tors. eta vs tors. theta energy: -5.352
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: 2
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -84.599400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.599400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.599400 (E_RNA)
where:
Base-Base interactions energy: -36.032
where: short stacking energy: -29.787
Base-Backbone interact. energy: -0.153
local terms energy: -48.413817
where:
bonds (distance) C4'-P energy: -9.492
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -5.251
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: 6
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -72.107595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.107595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.107595 (E_RNA)
where:
Base-Base interactions energy: -34.970
where: short stacking energy: -16.852
Base-Backbone interact. energy: -0.143
local terms energy: -36.994696
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -6.290
tors. eta vs tors. theta energy: 0.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -87.899873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.899873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.899873 (E_RNA)
where:
Base-Base interactions energy: -36.162
where: short stacking energy: -36.401
Base-Backbone interact. energy: -0.113
local terms energy: -51.624876
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -7.733
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -12.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -75.524439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.524439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.524439 (E_RNA)
where:
Base-Base interactions energy: -25.897
where: short stacking energy: -24.785
Base-Backbone interact. energy: -0.041
local terms energy: -49.585799
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -7.946
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -8.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -66.797193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.797193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.797193 (E_RNA)
where:
Base-Base interactions energy: -24.257
where: short stacking energy: -23.922
Base-Backbone interact. energy: -0.050
local terms energy: -42.489620
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -10.347
flat angles P-C4'-P energy: -5.866
tors. eta vs tors. theta energy: -5.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -87.698729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.698729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.698729 (E_RNA)
where:
Base-Base interactions energy: -44.025
where: short stacking energy: -24.436
Base-Backbone interact. energy: 0.634
local terms energy: -44.307767
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -10.196
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -4.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -66.920563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.920563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.920563 (E_RNA)
where:
Base-Base interactions energy: -26.455
where: short stacking energy: -16.793
Base-Backbone interact. energy: 2.818
local terms energy: -43.282623
where:
bonds (distance) C4'-P energy: -10.976
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -8.596
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: -3.874
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: 4
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -72.335574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.335574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.335574 (E_RNA)
where:
Base-Base interactions energy: -33.762
where: short stacking energy: -13.340
Base-Backbone interact. energy: -0.213
local terms energy: -38.360557
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -10.753
flat angles C4'-P-C4' energy: -9.787
flat angles P-C4'-P energy: -2.592
tors. eta vs tors. theta energy: -4.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -138.452403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.452403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.452403 (E_RNA)
where:
Base-Base interactions energy: -93.914
where: short stacking energy: -33.927
Base-Backbone interact. energy: -0.120
local terms energy: -44.418354
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -9.254
flat angles C4'-P-C4' energy: -10.305
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -5.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -112.044330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.044330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.044330 (E_RNA)
where:
Base-Base interactions energy: -64.914
where: short stacking energy: -30.057
Base-Backbone interact. energy: -0.567
local terms energy: -46.563662
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -11.947
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -5.220
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: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -81.302262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.302262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.302262 (E_RNA)
where:
Base-Base interactions energy: -31.950
where: short stacking energy: -30.430
Base-Backbone interact. energy: -0.118
local terms energy: -49.234667
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -6.304
tors. eta vs tors. theta energy: -9.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -75.873658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.873658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.873658 (E_RNA)
where:
Base-Base interactions energy: -29.080
where: short stacking energy: -24.610
Base-Backbone interact. energy: -0.000
local terms energy: -46.793635
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -8.344
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: 5, replica: 5
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -77.671846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.671846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.671846 (E_RNA)
where:
Base-Base interactions energy: -35.427
where: short stacking energy: -26.777
Base-Backbone interact. energy: -0.055
local terms energy: -42.190455
where:
bonds (distance) C4'-P energy: -8.811
bonds (distance) P-C4' energy: -10.032
flat angles C4'-P-C4' energy: -10.602
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -5.815
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: 9
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -84.966097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.966097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.966097 (E_RNA)
where:
Base-Base interactions energy: -41.173
where: short stacking energy: -25.283
Base-Backbone interact. energy: -0.197
local terms energy: -43.595824
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -9.204
flat angles C4'-P-C4' energy: -8.993
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -4.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -66.092123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.092123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.092123 (E_RNA)
where:
Base-Base interactions energy: -22.827
where: short stacking energy: -11.012
Base-Backbone interact. energy: -0.488
local terms energy: -42.777355
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -7.221
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -1.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -57.517834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.517834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.517834 (E_RNA)
where:
Base-Base interactions energy: -17.236
where: short stacking energy: -11.665
Base-Backbone interact. energy: -0.267
local terms energy: -40.014280
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -11.096
flat angles C4'-P-C4' energy: -10.627
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: 1.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -57.080493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.080493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.080493 (E_RNA)
where:
Base-Base interactions energy: -16.819
where: short stacking energy: -12.398
Base-Backbone interact. energy: -0.119
local terms energy: -40.142976
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -10.078
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -0.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -54.739029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.739029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.739029 (E_RNA)
where:
Base-Base interactions energy: -13.423
where: short stacking energy: -12.175
Base-Backbone interact. energy: -0.059
local terms energy: -41.256878
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -11.211
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: -3.889
tors. eta vs tors. theta energy: -2.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -132.669170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.669170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.669170 (E_RNA)
where:
Base-Base interactions energy: -87.748
where: short stacking energy: -33.959
Base-Backbone interact. energy: -0.605
local terms energy: -44.316205
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -9.904
flat angles C4'-P-C4' energy: -10.727
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -5.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -127.349504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.349504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.349504 (E_RNA)
where:
Base-Base interactions energy: -86.226
where: short stacking energy: -31.468
Base-Backbone interact. energy: -1.387
local terms energy: -39.736242
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -7.478
flat angles C4'-P-C4' energy: -10.321
flat angles P-C4'-P energy: -4.337
tors. eta vs tors. theta energy: -6.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -82.066125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.066125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.066125 (E_RNA)
where:
Base-Base interactions energy: -33.216
where: short stacking energy: -32.676
Base-Backbone interact. energy: -0.133
local terms energy: -48.716725
where:
bonds (distance) C4'-P energy: -9.941
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -6.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -83.045445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.045445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.045445 (E_RNA)
where:
Base-Base interactions energy: -34.961
where: short stacking energy: -26.276
Base-Backbone interact. energy: -0.444
local terms energy: -47.640115
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -11.454
flat angles C4'-P-C4' energy: -8.951
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -7.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -83.287011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.287011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.287011 (E_RNA)
where:
Base-Base interactions energy: -42.131
where: short stacking energy: -23.399
Base-Backbone interact. energy: -0.030
local terms energy: -41.125965
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -6.819
flat angles C4'-P-C4' energy: -9.885
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -2.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -77.886796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.886796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.886796 (E_RNA)
where:
Base-Base interactions energy: -39.915
where: short stacking energy: -15.088
Base-Backbone interact. energy: 0.252
local terms energy: -38.223749
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -8.912
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -4.985
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: 7, replica: 3
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -74.947583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.947583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.947583 (E_RNA)
where:
Base-Base interactions energy: -33.700
where: short stacking energy: -16.971
Base-Backbone interact. energy: -0.058
local terms energy: -41.190094
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -10.123
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: 0.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -62.348357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.348357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.348357 (E_RNA)
where:
Base-Base interactions energy: -22.761
where: short stacking energy: -17.984
Base-Backbone interact. energy: -0.013
local terms energy: -39.574022
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -8.002
flat angles C4'-P-C4' energy: -9.360
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -2.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -61.061299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.061299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.061299 (E_RNA)
where:
Base-Base interactions energy: -22.543
where: short stacking energy: -11.438
Base-Backbone interact. energy: -0.428
local terms energy: -38.090597
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -9.021
flat angles P-C4'-P energy: -4.693
tors. eta vs tors. theta energy: -0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -57.549689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.549689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.549689 (E_RNA)
where:
Base-Base interactions energy: -15.191
where: short stacking energy: -15.191
Base-Backbone interact. energy: -0.148
local terms energy: -42.211326
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -11.289
flat angles C4'-P-C4' energy: -9.500
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: -4.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -128.435466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.435466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.435466 (E_RNA)
where:
Base-Base interactions energy: -80.403
where: short stacking energy: -29.471
Base-Backbone interact. energy: -0.714
local terms energy: -47.318767
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -5.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -119.088406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.088406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.088406 (E_RNA)
where:
Base-Base interactions energy: -72.615
where: short stacking energy: -26.828
Base-Backbone interact. energy: -0.289
local terms energy: -46.183962
where:
bonds (distance) C4'-P energy: -9.780
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -7.511
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: 3, replica: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -91.698467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.698467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.698467 (E_RNA)
where:
Base-Base interactions energy: -51.101
where: short stacking energy: -27.490
Base-Backbone interact. energy: -0.073
local terms energy: -40.524565
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -9.565
flat angles P-C4'-P energy: -7.817
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: 4, replica: 2
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -81.543014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.543014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.543014 (E_RNA)
where:
Base-Base interactions energy: -35.749
where: short stacking energy: -26.472
Base-Backbone interact. energy: -0.008
local terms energy: -45.785845
where:
bonds (distance) C4'-P energy: -9.793
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -10.381
flat angles P-C4'-P energy: -6.998
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: 5, replica: 9
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -79.090252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.090252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.090252 (E_RNA)
where:
Base-Base interactions energy: -29.571
where: short stacking energy: -24.100
Base-Backbone interact. energy: -0.708
local terms energy: -48.812001
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -9.505
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -10.004
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: 6, replica: 6
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -72.100057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.100057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.100057 (E_RNA)
where:
Base-Base interactions energy: -36.597
where: short stacking energy: -13.603
Base-Backbone interact. energy: -0.770
local terms energy: -34.733300
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -6.609
flat angles C4'-P-C4' energy: -7.832
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -0.067
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: 4
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -69.795311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.795311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.795311 (E_RNA)
where:
Base-Base interactions energy: -30.887
where: short stacking energy: -25.432
Base-Backbone interact. energy: -0.099
local terms energy: -38.809348
where:
bonds (distance) C4'-P energy: -9.337
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -6.135
tors. eta vs tors. theta energy: 0.134
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: 8, replica: 3
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -66.158331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.158331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.158331 (E_RNA)
where:
Base-Base interactions energy: -26.779
where: short stacking energy: -26.779
Base-Backbone interact. energy: -0.160
local terms energy: -39.220011
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -9.608
flat angles P-C4'-P energy: -0.595
tors. eta vs tors. theta energy: -4.631
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: 40
Temperature: 1.300000
Total energy: -68.331475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.331475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.331475 (E_RNA)
where:
Base-Base interactions energy: -23.947
where: short stacking energy: -12.469
Base-Backbone interact. energy: -1.012
local terms energy: -43.372527
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -10.959
flat angles P-C4'-P energy: -6.018
tors. eta vs tors. theta energy: -2.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -52.253825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.253825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.253825 (E_RNA)
where:
Base-Base interactions energy: -13.093
where: short stacking energy: -13.093
Base-Backbone interact. energy: -0.241
local terms energy: -38.919459
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -9.112
flat angles C4'-P-C4' energy: -9.311
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -0.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -132.789784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.789784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.789784 (E_RNA)
where:
Base-Base interactions energy: -89.372
where: short stacking energy: -35.468
Base-Backbone interact. energy: -0.883
local terms energy: -42.534632
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -7.681
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -7.115
tors. eta vs tors. theta energy: -4.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -85.139626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.139626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.139626 (E_RNA)
where:
Base-Base interactions energy: -41.180
where: short stacking energy: -28.041
Base-Backbone interact. energy: -0.044
local terms energy: -43.915298
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -3.854
tors. eta vs tors. theta energy: -4.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -123.698849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.698849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.698849 (E_RNA)
where:
Base-Base interactions energy: -76.137
where: short stacking energy: -30.586
Base-Backbone interact. energy: -0.340
local terms energy: -47.222551
where:
bonds (distance) C4'-P energy: -7.689
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -8.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -76.621602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.621602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.621602 (E_RNA)
where:
Base-Base interactions energy: -27.621
where: short stacking energy: -22.127
Base-Backbone interact. energy: -0.001
local terms energy: -49.000392
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -2.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -75.717883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.717883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.717883 (E_RNA)
where:
Base-Base interactions energy: -39.741
where: short stacking energy: -22.464
Base-Backbone interact. energy: -0.075
local terms energy: -35.901739
where:
bonds (distance) C4'-P energy: -11.340
bonds (distance) P-C4' energy: -10.803
flat angles C4'-P-C4' energy: -8.217
flat angles P-C4'-P energy: -3.133
tors. eta vs tors. theta energy: -2.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -72.362859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.362859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.362859 (E_RNA)
where:
Base-Base interactions energy: -28.083
where: short stacking energy: -16.184
Base-Backbone interact. energy: -0.489
local terms energy: -43.791472
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -9.926
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -2.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -83.201119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.201119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.201119 (E_RNA)
where:
Base-Base interactions energy: -46.448
where: short stacking energy: -22.627
Base-Backbone interact. energy: -0.474
local terms energy: -36.278989
where:
bonds (distance) C4'-P energy: -9.812
bonds (distance) P-C4' energy: -6.076
flat angles C4'-P-C4' energy: -6.082
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: -6.945
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: 8, replica: 7
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -64.830838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.830838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.830838 (E_RNA)
where:
Base-Base interactions energy: -25.648
where: short stacking energy: -18.568
Base-Backbone interact. energy: -0.214
local terms energy: -38.968788
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -3.741
tors. eta vs tors. theta energy: -0.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -59.227892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.227892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.227892 (E_RNA)
where:
Base-Base interactions energy: -25.366
where: short stacking energy: -25.366
Base-Backbone interact. energy: -0.187
local terms energy: -33.674998
where:
bonds (distance) C4'-P energy: -6.859
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -7.158
flat angles P-C4'-P energy: -0.068
tors. eta vs tors. theta energy: -6.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -57.757468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.757468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.757468 (E_RNA)
where:
Base-Base interactions energy: -17.290
where: short stacking energy: -17.290
Base-Backbone interact. energy: -0.184
local terms energy: -40.282668
where:
bonds (distance) C4'-P energy: -10.346
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: 1.049
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: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -128.031753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.031753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.031753 (E_RNA)
where:
Base-Base interactions energy: -84.701
where: short stacking energy: -33.962
Base-Backbone interact. energy: -1.408
local terms energy: -41.922536
where:
bonds (distance) C4'-P energy: -9.060
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -8.559
flat angles P-C4'-P energy: -3.496
tors. eta vs tors. theta energy: -9.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -78.155123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.155123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.155123 (E_RNA)
where:
Base-Base interactions energy: -37.087
where: short stacking energy: -34.957
Base-Backbone interact. energy: -0.027
local terms energy: -41.041051
where:
bonds (distance) C4'-P energy: -6.485
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -6.003
tors. eta vs tors. theta energy: -6.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -117.716753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.716753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.716753 (E_RNA)
where:
Base-Base interactions energy: -77.209
where: short stacking energy: -37.057
Base-Backbone interact. energy: -0.221
local terms energy: -40.287049
where:
bonds (distance) C4'-P energy: -8.521
bonds (distance) P-C4' energy: -10.628
flat angles C4'-P-C4' energy: -6.565
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -6.488
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: 4, replica: 9
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -79.324238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.324238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.324238 (E_RNA)
where:
Base-Base interactions energy: -30.493
where: short stacking energy: -30.493
Base-Backbone interact. energy: -0.094
local terms energy: -48.736992
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -11.033
flat angles P-C4'-P energy: -5.861
tors. eta vs tors. theta energy: -7.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -71.288075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.288075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.288075 (E_RNA)
where:
Base-Base interactions energy: -23.883
where: short stacking energy: -23.883
Base-Backbone interact. energy: -0.000
local terms energy: -47.404403
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -9.910
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -4.850
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: 6, replica: 4
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -72.342507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.342507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.342507 (E_RNA)
where:
Base-Base interactions energy: -28.034
where: short stacking energy: -25.022
Base-Backbone interact. energy: -0.008
local terms energy: -44.301057
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -10.041
flat angles C4'-P-C4' energy: -9.970
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -5.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -62.288791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.288791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.288791 (E_RNA)
where:
Base-Base interactions energy: -17.803
where: short stacking energy: -17.041
Base-Backbone interact. energy: -0.018
local terms energy: -44.468236
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -9.660
flat angles P-C4'-P energy: -4.633
tors. eta vs tors. theta energy: -5.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -56.855695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.855695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.855695 (E_RNA)
where:
Base-Base interactions energy: -19.537
where: short stacking energy: -19.537
Base-Backbone interact. energy: -0.060
local terms energy: -37.258772
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -7.716
flat angles C4'-P-C4' energy: -6.778
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -2.265
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: 8
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -57.425917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.425917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.425917 (E_RNA)
where:
Base-Base interactions energy: -13.826
where: short stacking energy: -11.388
Base-Backbone interact. energy: -0.103
local terms energy: -43.497456
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -5.177
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: 3
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -53.646900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.646900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.646900 (E_RNA)
where:
Base-Base interactions energy: -17.799
where: short stacking energy: -12.952
Base-Backbone interact. energy: -0.007
local terms energy: -35.841473
where:
bonds (distance) C4'-P energy: -9.299
bonds (distance) P-C4' energy: -10.722
flat angles C4'-P-C4' energy: -8.920
flat angles P-C4'-P energy: -4.437
tors. eta vs tors. theta energy: -2.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -119.437552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.437552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.437552 (E_RNA)
where:
Base-Base interactions energy: -72.194
where: short stacking energy: -29.585
Base-Backbone interact. energy: -0.371
local terms energy: -46.872403
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -8.616
flat angles C4'-P-C4' energy: -10.124
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -7.744
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: 2, replica: 10
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -106.488938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.488938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.488938 (E_RNA)
where:
Base-Base interactions energy: -57.790
where: short stacking energy: -32.686
Base-Backbone interact. energy: -0.619
local terms energy: -48.080210
where:
bonds (distance) C4'-P energy: -9.647
bonds (distance) P-C4' energy: -11.457
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -6.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -88.833771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.833771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.833771 (E_RNA)
where:
Base-Base interactions energy: -50.271
where: short stacking energy: -20.699
Base-Backbone interact. energy: -0.010
local terms energy: -38.552762
where:
bonds (distance) C4'-P energy: -9.462
bonds (distance) P-C4' energy: -11.272
flat angles C4'-P-C4' energy: -8.153
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: -4.831
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: 9
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -77.059563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.059563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.059563 (E_RNA)
where:
Base-Base interactions energy: -29.162
where: short stacking energy: -26.398
Base-Backbone interact. energy: -0.096
local terms energy: -47.801553
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -9.760
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -7.204
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: 5, replica: 2
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -63.605916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.605916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.605916 (E_RNA)
where:
Base-Base interactions energy: -23.079
where: short stacking energy: -23.079
Base-Backbone interact. energy: -0.014
local terms energy: -40.513460
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -8.555
flat angles C4'-P-C4' energy: -11.158
flat angles P-C4'-P energy: -5.349
tors. eta vs tors. theta energy: -3.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -73.250523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.250523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.250523 (E_RNA)
where:
Base-Base interactions energy: -33.210
where: short stacking energy: -18.805
Base-Backbone interact. energy: 0.785
local terms energy: -40.825352
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -8.895
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -0.280
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: 7, replica: 7
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -76.846350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.846350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.846350 (E_RNA)
where:
Base-Base interactions energy: -39.100
where: short stacking energy: -12.046
Base-Backbone interact. energy: -0.670
local terms energy: -37.077166
where:
bonds (distance) C4'-P energy: -5.685
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -7.321
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -2.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -96.971006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.971006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.971006 (E_RNA)
where:
Base-Base interactions energy: -61.451
where: short stacking energy: -29.516
Base-Backbone interact. energy: 1.210
local terms energy: -36.730149
where:
bonds (distance) C4'-P energy: -8.426
bonds (distance) P-C4' energy: -7.139
flat angles C4'-P-C4' energy: -8.685
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -2.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -58.009139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.009139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.009139 (E_RNA)
where:
Base-Base interactions energy: -23.917
where: short stacking energy: -10.329
Base-Backbone interact. energy: -0.416
local terms energy: -33.676234
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -9.091
flat angles C4'-P-C4' energy: -8.400
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: 1.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -51.894123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.894123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.894123 (E_RNA)
where:
Base-Base interactions energy: -20.801
where: short stacking energy: -18.753
Base-Backbone interact. energy: -0.034
local terms energy: -31.059395
where:
bonds (distance) C4'-P energy: -9.631
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -5.295
flat angles P-C4'-P energy: -1.279
tors. eta vs tors. theta energy: -4.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -113.401670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.401670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.401670 (E_RNA)
where:
Base-Base interactions energy: -65.661
where: short stacking energy: -29.060
Base-Backbone interact. energy: -0.037
local terms energy: -47.704362
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -12.296
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -5.154
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: 1
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -112.579538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.579538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.579538 (E_RNA)
where:
Base-Base interactions energy: -67.054
where: short stacking energy: -26.911
Base-Backbone interact. energy: -0.189
local terms energy: -45.337258
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -11.800
flat angles C4'-P-C4' energy: -10.368
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -5.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -101.633462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.633462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.633462 (E_RNA)
where:
Base-Base interactions energy: -54.580
where: short stacking energy: -30.650
Base-Backbone interact. energy: -0.095
local terms energy: -46.959141
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -9.491
flat angles C4'-P-C4' energy: -8.846
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -7.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -70.019975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.019975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.019975 (E_RNA)
where:
Base-Base interactions energy: -20.584
where: short stacking energy: -20.584
Base-Backbone interact. energy: -0.002
local terms energy: -49.433645
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -10.733
flat angles P-C4'-P energy: -5.364
tors. eta vs tors. theta energy: -6.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -75.538694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.538694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.538694 (E_RNA)
where:
Base-Base interactions energy: -29.237
where: short stacking energy: -29.237
Base-Backbone interact. energy: -0.254
local terms energy: -46.048335
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -9.214
flat angles P-C4'-P energy: -6.316
tors. eta vs tors. theta energy: -6.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -64.624177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.624177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.624177 (E_RNA)
where:
Base-Base interactions energy: -22.457
where: short stacking energy: -22.457
Base-Backbone interact. energy: -0.081
local terms energy: -42.085937
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -10.381
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -5.797
tors. eta vs tors. theta energy: -3.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -72.485879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.485879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.485879 (E_RNA)
where:
Base-Base interactions energy: -25.837
where: short stacking energy: -25.837
Base-Backbone interact. energy: -0.045
local terms energy: -46.603155
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -10.998
flat angles C4'-P-C4' energy: -9.406
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -6.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -60.327840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.327840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.327840 (E_RNA)
where:
Base-Base interactions energy: -23.769
where: short stacking energy: -15.267
Base-Backbone interact. energy: -0.080
local terms energy: -36.479015
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -8.839
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: 0.003
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: 9, replica: 3
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -62.751985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.751985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.751985 (E_RNA)
where:
Base-Base interactions energy: -23.316
where: short stacking energy: -17.789
Base-Backbone interact. energy: -0.049
local terms energy: -39.386479
where:
bonds (distance) C4'-P energy: -8.485
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -11.386
flat angles P-C4'-P energy: -6.225
tors. eta vs tors. theta energy: -1.089
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: 10, replica: 6
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -60.589613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.589613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.589613 (E_RNA)
where:
Base-Base interactions energy: -30.300
where: short stacking energy: -10.745
Base-Backbone interact. energy: -0.182
local terms energy: -30.107108
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -3.885
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: 4.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -129.068949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.068949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.068949 (E_RNA)
where:
Base-Base interactions energy: -84.216
where: short stacking energy: -33.389
Base-Backbone interact. energy: -0.038
local terms energy: -44.815689
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -11.592
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -3.039
tors. eta vs tors. theta energy: -4.914
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: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -105.709230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.709230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.709230 (E_RNA)
where:
Base-Base interactions energy: -58.871
where: short stacking energy: -31.071
Base-Backbone interact. energy: -0.067
local terms energy: -46.771956
where:
bonds (distance) C4'-P energy: -8.163
bonds (distance) P-C4' energy: -9.999
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -6.585
tors. eta vs tors. theta energy: -8.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -100.394162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.394162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.394162 (E_RNA)
where:
Base-Base interactions energy: -60.190
where: short stacking energy: -28.756
Base-Backbone interact. energy: -0.288
local terms energy: -39.916334
where:
bonds (distance) C4'-P energy: -7.817
bonds (distance) P-C4' energy: -9.447
flat angles C4'-P-C4' energy: -9.135
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -3.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -73.499155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.499155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.499155 (E_RNA)
where:
Base-Base interactions energy: -35.720
where: short stacking energy: -34.232
Base-Backbone interact. energy: -0.046
local terms energy: -37.733227
where:
bonds (distance) C4'-P energy: -6.403
bonds (distance) P-C4' energy: -9.793
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -4.722
tors. eta vs tors. theta energy: -5.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -71.248133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.248133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.248133 (E_RNA)
where:
Base-Base interactions energy: -30.930
where: short stacking energy: -19.959
Base-Backbone interact. energy: -0.229
local terms energy: -40.089257
where:
bonds (distance) C4'-P energy: -8.773
bonds (distance) P-C4' energy: -9.633
flat angles C4'-P-C4' energy: -9.558
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -3.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -91.735120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.735120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.735120 (E_RNA)
where:
Base-Base interactions energy: -47.169
where: short stacking energy: -28.400
Base-Backbone interact. energy: -0.400
local terms energy: -44.165907
where:
bonds (distance) C4'-P energy: -8.724
bonds (distance) P-C4' energy: -9.079
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: -7.843
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: 7, replica: 2
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -72.422051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.422051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.422051 (E_RNA)
where:
Base-Base interactions energy: -38.936
where: short stacking energy: -19.660
Base-Backbone interact. energy: 1.688
local terms energy: -35.173556
where:
bonds (distance) C4'-P energy: -8.563
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -4.085
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -4.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -56.867579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.867579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.867579 (E_RNA)
where:
Base-Base interactions energy: -13.435
where: short stacking energy: -13.435
Base-Backbone interact. energy: -0.256
local terms energy: -43.176098
where:
bonds (distance) C4'-P energy: -10.470
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -10.447
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -2.759
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: 9, replica: 7
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -59.785295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.785295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.785295 (E_RNA)
where:
Base-Base interactions energy: -20.803
where: short stacking energy: -20.803
Base-Backbone interact. energy: -0.139
local terms energy: -38.843159
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -11.194
flat angles C4'-P-C4' energy: -7.536
flat angles P-C4'-P energy: -3.549
tors. eta vs tors. theta energy: -4.138
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: 10, replica: 6
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -47.784982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.784982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.784982 (E_RNA)
where:
Base-Base interactions energy: -14.634
where: short stacking energy: -9.780
Base-Backbone interact. energy: -0.152
local terms energy: -32.999060
where:
bonds (distance) C4'-P energy: -10.186
bonds (distance) P-C4' energy: -9.670
flat angles C4'-P-C4' energy: -9.004
flat angles P-C4'-P energy: -5.646
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: 46
Temperature: 0.900000
Total energy: -132.432772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.432772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.432772 (E_RNA)
where:
Base-Base interactions energy: -83.692
where: short stacking energy: -32.188
Base-Backbone interact. energy: -0.622
local terms energy: -48.119009
where:
bonds (distance) C4'-P energy: -9.465
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -9.466
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -10.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -116.277582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.277582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.277582 (E_RNA)
where:
Base-Base interactions energy: -68.488
where: short stacking energy: -24.243
Base-Backbone interact. energy: -0.566
local terms energy: -47.223315
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -11.364
flat angles C4'-P-C4' energy: -10.694
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -4.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -94.154709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.154709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.154709 (E_RNA)
where:
Base-Base interactions energy: -47.155
where: short stacking energy: -25.581
Base-Backbone interact. energy: -0.104
local terms energy: -46.895915
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -10.450
flat angles P-C4'-P energy: -6.316
tors. eta vs tors. theta energy: -5.623
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: 46
Temperature: 1.050000
Total energy: -86.494028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.494028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.494028 (E_RNA)
where:
Base-Base interactions energy: -43.616
where: short stacking energy: -21.085
Base-Backbone interact. energy: -0.040
local terms energy: -42.838492
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -11.007
flat angles C4'-P-C4' energy: -11.320
flat angles P-C4'-P energy: -4.572
tors. eta vs tors. theta energy: -4.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -80.908946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.908946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.908946 (E_RNA)
where:
Base-Base interactions energy: -35.529
where: short stacking energy: -33.818
Base-Backbone interact. energy: -0.064
local terms energy: -45.315880
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -8.598
flat angles C4'-P-C4' energy: -11.854
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -6.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -66.188172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.188172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.188172 (E_RNA)
where:
Base-Base interactions energy: -21.399
where: short stacking energy: -21.399
Base-Backbone interact. energy: -0.121
local terms energy: -44.668817
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -9.824
flat angles P-C4'-P energy: -5.172
tors. eta vs tors. theta energy: -6.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -91.535366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.535366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.535366 (E_RNA)
where:
Base-Base interactions energy: -47.274
where: short stacking energy: -15.725
Base-Backbone interact. energy: -0.147
local terms energy: -44.114310
where:
bonds (distance) C4'-P energy: -9.733
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -1.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -58.241222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.241222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.241222 (E_RNA)
where:
Base-Base interactions energy: -24.121
where: short stacking energy: -17.323
Base-Backbone interact. energy: -0.405
local terms energy: -33.715434
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -11.201
flat angles C4'-P-C4' energy: -7.701
flat angles P-C4'-P energy: -2.701
tors. eta vs tors. theta energy: -3.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -67.172681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.172681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.172681 (E_RNA)
where:
Base-Base interactions energy: -27.605
where: short stacking energy: -14.097
Base-Backbone interact. energy: 0.052
local terms energy: -39.619790
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -9.927
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: 2.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -66.810976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.810976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.810976 (E_RNA)
where:
Base-Base interactions energy: -24.725
where: short stacking energy: -13.909
Base-Backbone interact. energy: -0.166
local terms energy: -41.919851
where:
bonds (distance) C4'-P energy: -10.780
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -7.149
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: -3.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -131.163246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.163246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.163246 (E_RNA)
where:
Base-Base interactions energy: -82.558
where: short stacking energy: -28.867
Base-Backbone interact. energy: -0.263
local terms energy: -48.342435
where:
bonds (distance) C4'-P energy: -10.541
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -9.502
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -7.738
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: 2, replica: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -123.859091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.859091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.859091 (E_RNA)
where:
Base-Base interactions energy: -75.615
where: short stacking energy: -28.415
Base-Backbone interact. energy: 0.506
local terms energy: -48.749962
where:
bonds (distance) C4'-P energy: -10.742
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -5.401
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: 47
Temperature: 1.000000
Total energy: -85.536593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.536593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.536593 (E_RNA)
where:
Base-Base interactions energy: -38.730
where: short stacking energy: -38.730
Base-Backbone interact. energy: -0.000
local terms energy: -46.806536
where:
bonds (distance) C4'-P energy: -6.139
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -9.858
flat angles P-C4'-P energy: -5.751
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: 4, replica: 9
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -75.961812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.961812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.961812 (E_RNA)
where:
Base-Base interactions energy: -35.925
where: short stacking energy: -23.879
Base-Backbone interact. energy: -0.072
local terms energy: -39.964041
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -10.597
flat angles C4'-P-C4' energy: -9.923
flat angles P-C4'-P energy: -4.495
tors. eta vs tors. theta energy: -2.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -75.682961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.682961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.682961 (E_RNA)
where:
Base-Base interactions energy: -34.903
where: short stacking energy: -19.204
Base-Backbone interact. energy: -0.008
local terms energy: -40.772343
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -11.275
flat angles C4'-P-C4' energy: -9.639
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -1.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -96.710182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.710182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.710182 (E_RNA)
where:
Base-Base interactions energy: -58.241
where: short stacking energy: -17.983
Base-Backbone interact. energy: -0.056
local terms energy: -38.413582
where:
bonds (distance) C4'-P energy: -6.857
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -7.903
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -1.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -56.624538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.624538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.624538 (E_RNA)
where:
Base-Base interactions energy: -17.732
where: short stacking energy: -15.686
Base-Backbone interact. energy: -0.107
local terms energy: -38.785799
where:
bonds (distance) C4'-P energy: -8.430
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -8.444
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -1.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -80.751508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.751508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.751508 (E_RNA)
where:
Base-Base interactions energy: -51.537
where: short stacking energy: -23.642
Base-Backbone interact. energy: -0.930
local terms energy: -28.284399
where:
bonds (distance) C4'-P energy: -6.451
bonds (distance) P-C4' energy: -8.890
flat angles C4'-P-C4' energy: -6.523
flat angles P-C4'-P energy: -2.808
tors. eta vs tors. theta energy: -3.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -55.475075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.475075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.475075 (E_RNA)
where:
Base-Base interactions energy: -21.442
where: short stacking energy: -11.791
Base-Backbone interact. energy: -0.163
local terms energy: -33.870886
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -9.232
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -4.719
tors. eta vs tors. theta energy: 1.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -52.800439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.800439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.800439 (E_RNA)
where:
Base-Base interactions energy: -8.944
where: short stacking energy: -8.944
Base-Backbone interact. energy: -0.019
local terms energy: -43.836993
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -7.897
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -3.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -127.040437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.040437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.040437 (E_RNA)
where:
Base-Base interactions energy: -83.929
where: short stacking energy: -28.347
Base-Backbone interact. energy: -0.783
local terms energy: -42.327982
where:
bonds (distance) C4'-P energy: -9.064
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -11.186
flat angles P-C4'-P energy: -9.222
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: 2, replica: 10
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -138.287767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.287767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.287767 (E_RNA)
where:
Base-Base interactions energy: -88.792
where: short stacking energy: -31.565
Base-Backbone interact. energy: -1.045
local terms energy: -48.451153
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -8.240
flat angles P-C4'-P energy: -5.724
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: 3, replica: 9
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -85.615592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.615592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.615592 (E_RNA)
where:
Base-Base interactions energy: -39.413
where: short stacking energy: -16.190
Base-Backbone interact. energy: -0.349
local terms energy: -45.854257
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -6.371
tors. eta vs tors. theta energy: -2.269
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: 5
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -72.143602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.143602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.143602 (E_RNA)
where:
Base-Base interactions energy: -31.626
where: short stacking energy: -23.163
Base-Backbone interact. energy: -0.075
local terms energy: -40.442679
where:
bonds (distance) C4'-P energy: -8.998
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -8.114
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: -5.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -79.179094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.179094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.179094 (E_RNA)
where:
Base-Base interactions energy: -35.061
where: short stacking energy: -32.645
Base-Backbone interact. energy: -0.065
local terms energy: -44.053491
where:
bonds (distance) C4'-P energy: -9.308
bonds (distance) P-C4' energy: -12.223
flat angles C4'-P-C4' energy: -10.473
flat angles P-C4'-P energy: -2.689
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: 6, replica: 3
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -65.668784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.668784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.668784 (E_RNA)
where:
Base-Base interactions energy: -32.094
where: short stacking energy: -20.712
Base-Backbone interact. energy: -0.498
local terms energy: -33.076485
where:
bonds (distance) C4'-P energy: -8.359
bonds (distance) P-C4' energy: -9.671
flat angles C4'-P-C4' energy: -7.357
flat angles P-C4'-P energy: -6.534
tors. eta vs tors. theta energy: -1.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -70.732050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.732050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.732050 (E_RNA)
where:
Base-Base interactions energy: -29.461
where: short stacking energy: -19.784
Base-Backbone interact. energy: -0.151
local terms energy: -41.119611
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -5.780
tors. eta vs tors. theta energy: -0.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -87.633880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.633880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.633880 (E_RNA)
where:
Base-Base interactions energy: -46.160
where: short stacking energy: -17.123
Base-Backbone interact. energy: -0.462
local terms energy: -41.012534
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -8.704
flat angles P-C4'-P energy: -3.810
tors. eta vs tors. theta energy: -6.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -56.252758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.252758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.252758 (E_RNA)
where:
Base-Base interactions energy: -13.772
where: short stacking energy: -12.367
Base-Backbone interact. energy: -0.270
local terms energy: -42.210956
where:
bonds (distance) C4'-P energy: -8.629
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -1.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -60.770616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.770616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.770616 (E_RNA)
where:
Base-Base interactions energy: -23.479
where: short stacking energy: -23.479
Base-Backbone interact. energy: -0.086
local terms energy: -37.205194
where:
bonds (distance) C4'-P energy: -6.593
bonds (distance) P-C4' energy: -12.452
flat angles C4'-P-C4' energy: -6.817
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -5.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -132.005146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.005146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.005146 (E_RNA)
where:
Base-Base interactions energy: -83.133
where: short stacking energy: -32.457
Base-Backbone interact. energy: -0.026
local terms energy: -48.845846
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -8.663
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -8.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -127.419815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.419815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.419815 (E_RNA)
where:
Base-Base interactions energy: -82.458
where: short stacking energy: -35.048
Base-Backbone interact. energy: -0.799
local terms energy: -44.162457
where:
bonds (distance) C4'-P energy: -8.732
bonds (distance) P-C4' energy: -11.004
flat angles C4'-P-C4' energy: -9.463
flat angles P-C4'-P energy: -4.585
tors. eta vs tors. theta energy: -10.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -106.925126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.925126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.925126 (E_RNA)
where:
Base-Base interactions energy: -60.737
where: short stacking energy: -24.377
Base-Backbone interact. energy: -0.620
local terms energy: -45.568442
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -11.501
flat angles C4'-P-C4' energy: -9.095
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -5.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -69.163922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.163922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.163922 (E_RNA)
where:
Base-Base interactions energy: -20.796
where: short stacking energy: -18.103
Base-Backbone interact. energy: -0.011
local terms energy: -48.357074
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -8.980
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -69.652146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.652146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.652146 (E_RNA)
where:
Base-Base interactions energy: -24.995
where: short stacking energy: -24.995
Base-Backbone interact. energy: -0.001
local terms energy: -44.655827
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -9.293
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -5.354
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: 7
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -66.356526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.356526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.356526 (E_RNA)
where:
Base-Base interactions energy: -23.965
where: short stacking energy: -21.642
Base-Backbone interact. energy: -1.039
local terms energy: -41.353057
where:
bonds (distance) C4'-P energy: -9.330
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -10.014
flat angles P-C4'-P energy: -6.036
tors. eta vs tors. theta energy: -4.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -62.366827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.366827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.366827 (E_RNA)
where:
Base-Base interactions energy: -20.979
where: short stacking energy: -15.399
Base-Backbone interact. energy: -0.217
local terms energy: -41.170774
where:
bonds (distance) C4'-P energy: -8.994
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -10.244
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -1.747
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: 49
Temperature: 1.250000
Total energy: -66.848794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.848794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.848794 (E_RNA)
where:
Base-Base interactions energy: -24.291
where: short stacking energy: -21.906
Base-Backbone interact. energy: -0.868
local terms energy: -41.690042
where:
bonds (distance) C4'-P energy: -10.342
bonds (distance) P-C4' energy: -8.370
flat angles C4'-P-C4' energy: -9.362
flat angles P-C4'-P energy: -6.645
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: 9, replica: 4
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -52.569613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.569613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.569613 (E_RNA)
where:
Base-Base interactions energy: -7.772
where: short stacking energy: -7.772
Base-Backbone interact. energy: 0.002
local terms energy: -44.799647
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -1.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -51.580721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.580721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.580721 (E_RNA)
where:
Base-Base interactions energy: -19.731
where: short stacking energy: -14.793
Base-Backbone interact. energy: -0.095
local terms energy: -31.755236
where:
bonds (distance) C4'-P energy: -9.747
bonds (distance) P-C4' energy: -4.905
flat angles C4'-P-C4' energy: -9.245
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -0.350
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: 1, replica: 10
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -131.573317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.573317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.573317 (E_RNA)
where:
Base-Base interactions energy: -83.337
where: short stacking energy: -37.072
Base-Backbone interact. energy: -0.368
local terms energy: -47.868228
where:
bonds (distance) C4'-P energy: -8.417
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -10.232
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -9.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -125.329584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.329584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.329584 (E_RNA)
where:
Base-Base interactions energy: -83.807
where: short stacking energy: -31.271
Base-Backbone interact. energy: -0.512
local terms energy: -41.010741
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -11.035
flat angles C4'-P-C4' energy: -8.802
flat angles P-C4'-P energy: -6.477
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: 3, replica: 9
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -120.423740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.423740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.423740 (E_RNA)
where:
Base-Base interactions energy: -77.223
where: short stacking energy: -35.054
Base-Backbone interact. energy: 0.303
local terms energy: -43.503951
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -2.622
tors. eta vs tors. theta energy: -7.546
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: 8
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -79.864622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.864622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.864622 (E_RNA)
where:
Base-Base interactions energy: -30.516
where: short stacking energy: -30.516
Base-Backbone interact. energy: -0.013
local terms energy: -49.336172
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -11.201
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -6.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -67.635484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.635484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.635484 (E_RNA)
where:
Base-Base interactions energy: -29.634
where: short stacking energy: -22.914
Base-Backbone interact. energy: -0.044
local terms energy: -37.958000
where:
bonds (distance) C4'-P energy: -6.444
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -8.842
flat angles P-C4'-P energy: -5.033
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: 6, replica: 5
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -69.799899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.799899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.799899 (E_RNA)
where:
Base-Base interactions energy: -23.808
where: short stacking energy: -21.970
Base-Backbone interact. energy: -0.097
local terms energy: -45.894960
where:
bonds (distance) C4'-P energy: -9.324
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -11.227
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -5.017
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: 50
Temperature: 1.200000
Total energy: -52.345266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.345266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.345266 (E_RNA)
where:
Base-Base interactions energy: -13.024
where: short stacking energy: -8.718
Base-Backbone interact. energy: -0.039
local terms energy: -39.282145
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -8.398
flat angles C4'-P-C4' energy: -10.117
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: 0.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -58.393010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.393010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.393010 (E_RNA)
where:
Base-Base interactions energy: -22.491
where: short stacking energy: -16.873
Base-Backbone interact. energy: -0.485
local terms energy: -35.417235
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -11.346
flat angles C4'-P-C4' energy: -9.343
flat angles P-C4'-P energy: -3.002
tors. eta vs tors. theta energy: 0.372
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: 50
Temperature: 1.300000
Total energy: -71.856581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.856581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.856581 (E_RNA)
where:
Base-Base interactions energy: -34.126
where: short stacking energy: -14.648
Base-Backbone interact. energy: -0.005
local terms energy: -37.724931
where:
bonds (distance) C4'-P energy: -8.260
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -6.830
flat angles P-C4'-P energy: -3.197
tors. eta vs tors. theta energy: -7.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -54.178741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.178741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.178741 (E_RNA)
where:
Base-Base interactions energy: -18.453
where: short stacking energy: -16.918
Base-Backbone interact. energy: -0.082
local terms energy: -35.643951
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -7.778
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -4.154
tors. eta vs tors. theta energy: -1.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -127.946873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.946873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.946873 (E_RNA)
where:
Base-Base interactions energy: -81.883
where: short stacking energy: -22.045
Base-Backbone interact. energy: -1.137
local terms energy: -44.927344
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -10.463
flat angles P-C4'-P energy: -7.417
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: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -132.031030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.031030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.031030 (E_RNA)
where:
Base-Base interactions energy: -82.486
where: short stacking energy: -37.548
Base-Backbone interact. energy: -0.743
local terms energy: -48.801943
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -2.545
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: 3, replica: 9
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -110.583926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.583926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.583926 (E_RNA)
where:
Base-Base interactions energy: -68.625
where: short stacking energy: -33.743
Base-Backbone interact. energy: -0.218
local terms energy: -41.740746
where:
bonds (distance) C4'-P energy: -7.577
bonds (distance) P-C4' energy: -11.173
flat angles C4'-P-C4' energy: -9.350
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -7.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -74.574968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.574968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.574968 (E_RNA)
where:
Base-Base interactions energy: -32.596
where: short stacking energy: -24.353
Base-Backbone interact. energy: -0.078
local terms energy: -41.901259
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -10.554
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -4.608
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: 5, replica: 8
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -75.679102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.679102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.679102 (E_RNA)
where:
Base-Base interactions energy: -27.886
where: short stacking energy: -16.977
Base-Backbone interact. energy: -0.247
local terms energy: -47.545947
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -4.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -62.451211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.451211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.451211 (E_RNA)
where:
Base-Base interactions energy: -24.617
where: short stacking energy: -21.046
Base-Backbone interact. energy: -0.177
local terms energy: -37.657494
where:
bonds (distance) C4'-P energy: -7.710
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -6.946
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -2.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -80.138656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.138656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.138656 (E_RNA)
where:
Base-Base interactions energy: -36.619
where: short stacking energy: -20.886
Base-Backbone interact. energy: -0.170
local terms energy: -43.349211
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -3.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -68.665924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.665924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.665924 (E_RNA)
where:
Base-Base interactions energy: -34.645
where: short stacking energy: -20.049
Base-Backbone interact. energy: -0.289
local terms energy: -33.731430
where:
bonds (distance) C4'-P energy: -8.670
bonds (distance) P-C4' energy: -8.774
flat angles C4'-P-C4' energy: -10.204
flat angles P-C4'-P energy: -4.415
tors. eta vs tors. theta energy: -1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -80.182572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.182572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.182572 (E_RNA)
where:
Base-Base interactions energy: -41.670
where: short stacking energy: -24.175
Base-Backbone interact. energy: -0.098
local terms energy: -38.415020
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -10.389
flat angles C4'-P-C4' energy: -7.094
flat angles P-C4'-P energy: -4.705
tors. eta vs tors. theta energy: -4.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -63.809744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.809744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.809744 (E_RNA)
where:
Base-Base interactions energy: -30.893
where: short stacking energy: -27.590
Base-Backbone interact. energy: -0.049
local terms energy: -32.867770
where:
bonds (distance) C4'-P energy: -7.718
bonds (distance) P-C4' energy: -8.109
flat angles C4'-P-C4' energy: -6.415
flat angles P-C4'-P energy: -3.800
tors. eta vs tors. theta energy: -6.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -138.982547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.982547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.982547 (E_RNA)
where:
Base-Base interactions energy: -84.288
where: short stacking energy: -33.308
Base-Backbone interact. energy: -0.307
local terms energy: -54.387285
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -8.952
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: 52
Temperature: 0.950000
Total energy: -125.593188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.593188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.593188 (E_RNA)
where:
Base-Base interactions energy: -72.105
where: short stacking energy: -34.378
Base-Backbone interact. energy: -0.097
local terms energy: -53.391344
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -9.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -92.489155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.489155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.489155 (E_RNA)
where:
Base-Base interactions energy: -49.730
where: short stacking energy: -24.107
Base-Backbone interact. energy: 1.176
local terms energy: -43.935120
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -4.445
tors. eta vs tors. theta energy: -2.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -85.920694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.920694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.920694 (E_RNA)
where:
Base-Base interactions energy: -44.619
where: short stacking energy: -22.756
Base-Backbone interact. energy: -0.030
local terms energy: -41.272411
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -9.070
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -2.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -68.808501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.808501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.808501 (E_RNA)
where:
Base-Base interactions energy: -21.536
where: short stacking energy: -21.536
Base-Backbone interact. energy: -0.037
local terms energy: -47.235426
where:
bonds (distance) C4'-P energy: -9.258
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -4.650
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: 6, replica: 8
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -71.083763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.083763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.083763 (E_RNA)
where:
Base-Base interactions energy: -23.875
where: short stacking energy: -23.875
Base-Backbone interact. energy: -0.005
local terms energy: -47.204287
where:
bonds (distance) C4'-P energy: -8.831
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -7.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -65.918235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.918235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.918235 (E_RNA)
where:
Base-Base interactions energy: -25.323
where: short stacking energy: -16.719
Base-Backbone interact. energy: -0.092
local terms energy: -40.503025
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -11.236
flat angles C4'-P-C4' energy: -9.763
flat angles P-C4'-P energy: -6.461
tors. eta vs tors. theta energy: -2.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -62.960689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.960689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.960689 (E_RNA)
where:
Base-Base interactions energy: -25.563
where: short stacking energy: -19.137
Base-Backbone interact. energy: -0.519
local terms energy: -36.878622
where:
bonds (distance) C4'-P energy: -9.201
bonds (distance) P-C4' energy: -11.140
flat angles C4'-P-C4' energy: -8.709
flat angles P-C4'-P energy: -6.542
tors. eta vs tors. theta energy: -1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -63.364060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.364060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.364060 (E_RNA)
where:
Base-Base interactions energy: -30.951
where: short stacking energy: -25.557
Base-Backbone interact. energy: -0.068
local terms energy: -32.345766
where:
bonds (distance) C4'-P energy: -10.125
bonds (distance) P-C4' energy: -9.971
flat angles C4'-P-C4' energy: -5.047
flat angles P-C4'-P energy: -1.903
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: 10, replica: 3
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -61.420408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.420408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.420408 (E_RNA)
where:
Base-Base interactions energy: -24.156
where: short stacking energy: -22.726
Base-Backbone interact. energy: 0.195
local terms energy: -37.459855
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -6.242
flat angles C4'-P-C4' energy: -8.780
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -4.194
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: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -140.725472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.725472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.725472 (E_RNA)
where:
Base-Base interactions energy: -89.599
where: short stacking energy: -37.733
Base-Backbone interact. energy: -0.091
local terms energy: -51.035229
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -10.258
flat angles C4'-P-C4' energy: -10.061
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -11.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -104.607461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.607461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.607461 (E_RNA)
where:
Base-Base interactions energy: -49.371
where: short stacking energy: -30.422
Base-Backbone interact. energy: -0.255
local terms energy: -54.981913
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -10.311
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -11.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -118.206968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.206968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.206968 (E_RNA)
where:
Base-Base interactions energy: -71.838
where: short stacking energy: -30.911
Base-Backbone interact. energy: -0.277
local terms energy: -46.091573
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -10.849
flat angles P-C4'-P energy: -5.021
tors. eta vs tors. theta energy: -4.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -76.423858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.423858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.423858 (E_RNA)
where:
Base-Base interactions energy: -41.842
where: short stacking energy: -27.908
Base-Backbone interact. energy: -0.004
local terms energy: -34.578234
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -8.837
flat angles P-C4'-P energy: -3.324
tors. eta vs tors. theta energy: -1.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -72.994594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.994594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.994594 (E_RNA)
where:
Base-Base interactions energy: -33.501
where: short stacking energy: -20.798
Base-Backbone interact. energy: -0.946
local terms energy: -38.547700
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -7.667
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: -2.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -71.615434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.615434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.615434 (E_RNA)
where:
Base-Base interactions energy: -43.405
where: short stacking energy: -15.964
Base-Backbone interact. energy: -0.211
local terms energy: -27.998796
where:
bonds (distance) C4'-P energy: -7.738
bonds (distance) P-C4' energy: -9.738
flat angles C4'-P-C4' energy: -6.522
flat angles P-C4'-P energy: -4.221
tors. eta vs tors. theta energy: 0.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -62.671563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.671563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.671563 (E_RNA)
where:
Base-Base interactions energy: -27.391
where: short stacking energy: -16.365
Base-Backbone interact. energy: 1.093
local terms energy: -36.373345
where:
bonds (distance) C4'-P energy: -6.168
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -6.166
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: 8, replica: 4
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -74.345681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.345681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.345681 (E_RNA)
where:
Base-Base interactions energy: -32.853
where: short stacking energy: -18.916
Base-Backbone interact. energy: -0.234
local terms energy: -41.258072
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -9.036
flat angles P-C4'-P energy: -5.029
tors. eta vs tors. theta energy: -3.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -63.824951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.824951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.824951 (E_RNA)
where:
Base-Base interactions energy: -29.339
where: short stacking energy: -24.497
Base-Backbone interact. energy: -0.316
local terms energy: -34.170398
where:
bonds (distance) C4'-P energy: -8.518
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -4.788
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -1.419
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: 10, replica: 3
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -48.790014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.790014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.790014 (E_RNA)
where:
Base-Base interactions energy: -9.961
where: short stacking energy: -6.496
Base-Backbone interact. energy: -0.916
local terms energy: -37.913008
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -11.649
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: 4.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -132.935795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.935795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.935795 (E_RNA)
where:
Base-Base interactions energy: -85.859
where: short stacking energy: -35.069
Base-Backbone interact. energy: -0.284
local terms energy: -46.792522
where:
bonds (distance) C4'-P energy: -10.255
bonds (distance) P-C4' energy: -8.875
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -10.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -103.475627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.475627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.475627 (E_RNA)
where:
Base-Base interactions energy: -56.183
where: short stacking energy: -29.472
Base-Backbone interact. energy: -0.058
local terms energy: -47.233992
where:
bonds (distance) C4'-P energy: -7.704
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: -7.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -128.819876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.819876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.819876 (E_RNA)
where:
Base-Base interactions energy: -83.790
where: short stacking energy: -32.269
Base-Backbone interact. energy: -0.707
local terms energy: -44.323330
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -11.983
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -2.146
tors. eta vs tors. theta energy: -8.743
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: 54
Temperature: 1.050000
Total energy: -72.039977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.039977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.039977 (E_RNA)
where:
Base-Base interactions energy: -30.043
where: short stacking energy: -30.043
Base-Backbone interact. energy: -0.001
local terms energy: -41.995731
where:
bonds (distance) C4'-P energy: -8.589
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -9.688
flat angles P-C4'-P energy: -4.907
tors. eta vs tors. theta energy: -5.941
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: 2
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -62.880293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.880293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.880293 (E_RNA)
where:
Base-Base interactions energy: -22.682
where: short stacking energy: -21.943
Base-Backbone interact. energy: -0.259
local terms energy: -39.939436
where:
bonds (distance) C4'-P energy: -8.289
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -6.199
tors. eta vs tors. theta energy: -2.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -64.166791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.166791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.166791 (E_RNA)
where:
Base-Base interactions energy: -27.509
where: short stacking energy: -9.585
Base-Backbone interact. energy: -0.131
local terms energy: -36.527553
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -9.890
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: 3.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -78.564533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.564533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.564533 (E_RNA)
where:
Base-Base interactions energy: -40.567
where: short stacking energy: -29.755
Base-Backbone interact. energy: -0.005
local terms energy: -37.992679
where:
bonds (distance) C4'-P energy: -9.974
bonds (distance) P-C4' energy: -9.027
flat angles C4'-P-C4' energy: -9.828
flat angles P-C4'-P energy: -3.853
tors. eta vs tors. theta energy: -5.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -59.470800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.470800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.470800 (E_RNA)
where:
Base-Base interactions energy: -21.197
where: short stacking energy: -21.197
Base-Backbone interact. energy: -0.960
local terms energy: -37.313804
where:
bonds (distance) C4'-P energy: -9.908
bonds (distance) P-C4' energy: -5.357
flat angles C4'-P-C4' energy: -10.243
flat angles P-C4'-P energy: -6.152
tors. eta vs tors. theta energy: -5.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -59.590482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.590482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.590482 (E_RNA)
where:
Base-Base interactions energy: -22.610
where: short stacking energy: -10.753
Base-Backbone interact. energy: -0.091
local terms energy: -36.889813
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -9.214
flat angles P-C4'-P energy: -5.054
tors. eta vs tors. theta energy: 1.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -51.967247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.967247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.967247 (E_RNA)
where:
Base-Base interactions energy: -21.187
where: short stacking energy: -14.094
Base-Backbone interact. energy: 1.421
local terms energy: -32.201326
where:
bonds (distance) C4'-P energy: -8.521
bonds (distance) P-C4' energy: -9.569
flat angles C4'-P-C4' energy: -5.680
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: -0.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -128.234465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.234465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.234465 (E_RNA)
where:
Base-Base interactions energy: -79.521
where: short stacking energy: -27.720
Base-Backbone interact. energy: -0.862
local terms energy: -47.851883
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -11.041
flat angles P-C4'-P energy: -5.354
tors. eta vs tors. theta energy: -8.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -124.218048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.218048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.218048 (E_RNA)
where:
Base-Base interactions energy: -76.907
where: short stacking energy: -34.719
Base-Backbone interact. energy: -0.767
local terms energy: -46.543938
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -9.175
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -5.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -120.954396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.954396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.954396 (E_RNA)
where:
Base-Base interactions energy: -78.829
where: short stacking energy: -26.404
Base-Backbone interact. energy: -0.382
local terms energy: -41.743749
where:
bonds (distance) C4'-P energy: -6.915
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -4.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -79.962605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.962605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.962605 (E_RNA)
where:
Base-Base interactions energy: -38.029
where: short stacking energy: -30.796
Base-Backbone interact. energy: -0.088
local terms energy: -41.845403
where:
bonds (distance) C4'-P energy: -8.289
bonds (distance) P-C4' energy: -10.000
flat angles C4'-P-C4' energy: -11.150
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -5.492
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: 5
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -70.956433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.956433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.956433 (E_RNA)
where:
Base-Base interactions energy: -29.906
where: short stacking energy: -24.206
Base-Backbone interact. energy: -0.094
local terms energy: -40.956586
where:
bonds (distance) C4'-P energy: -7.958
bonds (distance) P-C4' energy: -11.814
flat angles C4'-P-C4' energy: -9.365
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -74.449656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.449656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.449656 (E_RNA)
where:
Base-Base interactions energy: -28.298
where: short stacking energy: -21.910
Base-Backbone interact. energy: -0.109
local terms energy: -46.042385
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -9.373
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -3.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -57.827749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.827749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.827749 (E_RNA)
where:
Base-Base interactions energy: -19.470
where: short stacking energy: -18.877
Base-Backbone interact. energy: 0.093
local terms energy: -38.451028
where:
bonds (distance) C4'-P energy: -9.564
bonds (distance) P-C4' energy: -8.164
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -5.409
tors. eta vs tors. theta energy: -3.470
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: 3
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -60.033238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.033238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.033238 (E_RNA)
where:
Base-Base interactions energy: -25.555
where: short stacking energy: -8.794
Base-Backbone interact. energy: 0.740
local terms energy: -35.218748
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -10.396
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -5.743
tors. eta vs tors. theta energy: 2.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -58.856406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.856406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.856406 (E_RNA)
where:
Base-Base interactions energy: -19.067
where: short stacking energy: -13.541
Base-Backbone interact. energy: 0.400
local terms energy: -40.189472
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -8.580
flat angles C4'-P-C4' energy: -8.353
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: -3.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -56.029847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.029847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.029847 (E_RNA)
where:
Base-Base interactions energy: -26.322
where: short stacking energy: -10.644
Base-Backbone interact. energy: -0.234
local terms energy: -29.474579
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -10.028
flat angles C4'-P-C4' energy: -4.592
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: 1.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -125.330099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.330099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.330099 (E_RNA)
where:
Base-Base interactions energy: -81.854
where: short stacking energy: -36.129
Base-Backbone interact. energy: -0.637
local terms energy: -42.838717
where:
bonds (distance) C4'-P energy: -9.718
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -10.478
flat angles P-C4'-P energy: -5.980
tors. eta vs tors. theta energy: -5.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -129.371025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.371025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.371025 (E_RNA)
where:
Base-Base interactions energy: -81.036
where: short stacking energy: -36.032
Base-Backbone interact. energy: -1.245
local terms energy: -47.090007
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -12.287
flat angles C4'-P-C4' energy: -7.440
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -9.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -125.889099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.889099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.889099 (E_RNA)
where:
Base-Base interactions energy: -78.839
where: short stacking energy: -31.683
Base-Backbone interact. energy: -0.610
local terms energy: -46.439906
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -9.720
flat angles C4'-P-C4' energy: -10.513
flat angles P-C4'-P energy: -5.609
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: 4, replica: 2
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -82.694686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.694686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.694686 (E_RNA)
where:
Base-Base interactions energy: -34.714
where: short stacking energy: -22.777
Base-Backbone interact. energy: -0.249
local terms energy: -47.730823
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -6.639
tors. eta vs tors. theta energy: -8.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -67.014586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.014586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.014586 (E_RNA)
where:
Base-Base interactions energy: -20.274
where: short stacking energy: -16.068
Base-Backbone interact. energy: -0.203
local terms energy: -46.538127
where:
bonds (distance) C4'-P energy: -9.932
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -3.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -64.192827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.192827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.192827 (E_RNA)
where:
Base-Base interactions energy: -28.961
where: short stacking energy: -13.937
Base-Backbone interact. energy: -0.184
local terms energy: -35.047656
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -8.259
flat angles C4'-P-C4' energy: -10.034
flat angles P-C4'-P energy: -5.512
tors. eta vs tors. theta energy: -1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -65.152485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.152485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.152485 (E_RNA)
where:
Base-Base interactions energy: -25.713
where: short stacking energy: -12.008
Base-Backbone interact. energy: -0.377
local terms energy: -39.061924
where:
bonds (distance) C4'-P energy: -7.752
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -9.085
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: 0.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -63.697461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.697461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.697461 (E_RNA)
where:
Base-Base interactions energy: -26.806
where: short stacking energy: -15.984
Base-Backbone interact. energy: -0.508
local terms energy: -36.382915
where:
bonds (distance) C4'-P energy: -6.762
bonds (distance) P-C4' energy: -10.720
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -6.095
tors. eta vs tors. theta energy: -1.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -51.707740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.707740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.707740 (E_RNA)
where:
Base-Base interactions energy: -18.530
where: short stacking energy: -11.474
Base-Backbone interact. energy: -0.161
local terms energy: -33.016726
where:
bonds (distance) C4'-P energy: -8.148
bonds (distance) P-C4' energy: -8.952
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -5.974
tors. eta vs tors. theta energy: 2.027
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: 56
Temperature: 1.350000
Total energy: -62.760634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.760634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.760634 (E_RNA)
where:
Base-Base interactions energy: -25.418
where: short stacking energy: -24.774
Base-Backbone interact. energy: -0.125
local terms energy: -37.218447
where:
bonds (distance) C4'-P energy: -7.661
bonds (distance) P-C4' energy: -9.717
flat angles C4'-P-C4' energy: -7.968
flat angles P-C4'-P energy: -3.558
tors. eta vs tors. theta energy: -8.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -133.102253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.102253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.102253 (E_RNA)
where:
Base-Base interactions energy: -87.223
where: short stacking energy: -33.716
Base-Backbone interact. energy: -0.113
local terms energy: -45.766425
where:
bonds (distance) C4'-P energy: -11.261
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -8.322
flat angles P-C4'-P energy: -3.394
tors. eta vs tors. theta energy: -9.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -128.579828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.579828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.579828 (E_RNA)
where:
Base-Base interactions energy: -82.143
where: short stacking energy: -35.496
Base-Backbone interact. energy: -0.250
local terms energy: -46.186502
where:
bonds (distance) C4'-P energy: -10.856
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -5.221
tors. eta vs tors. theta energy: -5.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -121.280629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.280629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.280629 (E_RNA)
where:
Base-Base interactions energy: -71.930
where: short stacking energy: -32.809
Base-Backbone interact. energy: -0.179
local terms energy: -49.172093
where:
bonds (distance) C4'-P energy: -7.763
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -5.047
tors. eta vs tors. theta energy: -11.955
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: 5
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -79.690783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.690783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.690783 (E_RNA)
where:
Base-Base interactions energy: -29.701
where: short stacking energy: -29.701
Base-Backbone interact. energy: -0.007
local terms energy: -49.982968
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -11.393
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -6.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -78.699723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.699723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.699723 (E_RNA)
where:
Base-Base interactions energy: -31.689
where: short stacking energy: -26.028
Base-Backbone interact. energy: 1.350
local terms energy: -48.360879
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -8.944
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -5.786
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: 6, replica: 3
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -64.130888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.130888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.130888 (E_RNA)
where:
Base-Base interactions energy: -29.831
where: short stacking energy: -16.018
Base-Backbone interact. energy: -0.103
local terms energy: -34.197341
where:
bonds (distance) C4'-P energy: -5.437
bonds (distance) P-C4' energy: -9.208
flat angles C4'-P-C4' energy: -9.702
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -2.000
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: 4
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -60.410105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.410105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.410105 (E_RNA)
where:
Base-Base interactions energy: -21.983
where: short stacking energy: -17.932
Base-Backbone interact. energy: -0.005
local terms energy: -38.421590
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -9.764
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -5.398
tors. eta vs tors. theta energy: -0.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -66.965953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.965953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.965953 (E_RNA)
where:
Base-Base interactions energy: -24.852
where: short stacking energy: -21.573
Base-Backbone interact. energy: -0.398
local terms energy: -41.715995
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -5.172
tors. eta vs tors. theta energy: -5.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -49.763389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.763389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.763389 (E_RNA)
where:
Base-Base interactions energy: -14.580
where: short stacking energy: -11.845
Base-Backbone interact. energy: -0.390
local terms energy: -34.793869
where:
bonds (distance) C4'-P energy: -9.771
bonds (distance) P-C4' energy: -9.497
flat angles C4'-P-C4' energy: -10.242
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: 1.176
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: 57
Temperature: 1.350000
Total energy: -58.558192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.558192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.558192 (E_RNA)
where:
Base-Base interactions energy: -23.564
where: short stacking energy: -15.289
Base-Backbone interact. energy: -0.278
local terms energy: -34.715739
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -9.023
flat angles C4'-P-C4' energy: -8.235
flat angles P-C4'-P energy: -6.787
tors. eta vs tors. theta energy: -0.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -143.272625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.272625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.272625 (E_RNA)
where:
Base-Base interactions energy: -93.964
where: short stacking energy: -35.132
Base-Backbone interact. energy: -0.211
local terms energy: -49.098224
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -3.880
tors. eta vs tors. theta energy: -5.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -129.682808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.682808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.682808 (E_RNA)
where:
Base-Base interactions energy: -81.832
where: short stacking energy: -25.901
Base-Backbone interact. energy: -0.482
local terms energy: -47.368367
where:
bonds (distance) C4'-P energy: -9.420
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -8.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -75.757584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.757584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.757584 (E_RNA)
where:
Base-Base interactions energy: -35.097
where: short stacking energy: -19.403
Base-Backbone interact. energy: -0.536
local terms energy: -40.124404
where:
bonds (distance) C4'-P energy: -8.977
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -10.825
flat angles P-C4'-P energy: -4.708
tors. eta vs tors. theta energy: -2.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -120.768534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.768534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.768534 (E_RNA)
where:
Base-Base interactions energy: -76.695
where: short stacking energy: -21.815
Base-Backbone interact. energy: -0.113
local terms energy: -43.959773
where:
bonds (distance) C4'-P energy: -9.523
bonds (distance) P-C4' energy: -8.495
flat angles C4'-P-C4' energy: -8.901
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -8.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -82.227882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.227882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.227882 (E_RNA)
where:
Base-Base interactions energy: -40.875
where: short stacking energy: -21.119
Base-Backbone interact. energy: 0.081
local terms energy: -41.434108
where:
bonds (distance) C4'-P energy: -11.109
bonds (distance) P-C4' energy: -11.828
flat angles C4'-P-C4' energy: -9.691
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: 0.647
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: 2
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -68.956481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.956481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.956481 (E_RNA)
where:
Base-Base interactions energy: -22.980
where: short stacking energy: -22.327
Base-Backbone interact. energy: -0.061
local terms energy: -45.915491
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -7.747
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -8.703
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: 7, replica: 6
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -75.933873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.933873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.933873 (E_RNA)
where:
Base-Base interactions energy: -34.238
where: short stacking energy: -18.422
Base-Backbone interact. energy: -0.053
local terms energy: -41.641958
where:
bonds (distance) C4'-P energy: -9.085
bonds (distance) P-C4' energy: -12.761
flat angles C4'-P-C4' energy: -9.188
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -2.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -60.041520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.041520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.041520 (E_RNA)
where:
Base-Base interactions energy: -23.191
where: short stacking energy: -13.285
Base-Backbone interact. energy: -0.334
local terms energy: -36.516042
where:
bonds (distance) C4'-P energy: -5.765
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -8.973
flat angles P-C4'-P energy: -5.718
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: 9
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -49.981184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.981184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.981184 (E_RNA)
where:
Base-Base interactions energy: -9.992
where: short stacking energy: -9.156
Base-Backbone interact. energy: -0.291
local terms energy: -39.698754
where:
bonds (distance) C4'-P energy: -9.329
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -7.275
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -2.585
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: 8
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -57.658815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.658815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.658815 (E_RNA)
where:
Base-Base interactions energy: -15.543
where: short stacking energy: -12.462
Base-Backbone interact. energy: -0.001
local terms energy: -42.114697
where:
bonds (distance) C4'-P energy: -9.556
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -6.767
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: 7
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -137.494608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.494608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.494608 (E_RNA)
where:
Base-Base interactions energy: -91.552
where: short stacking energy: -33.698
Base-Backbone interact. energy: -0.517
local terms energy: -45.425122
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -4.590
tors. eta vs tors. theta energy: -4.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -126.788466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.788466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.788466 (E_RNA)
where:
Base-Base interactions energy: -77.756
where: short stacking energy: -35.706
Base-Backbone interact. energy: -0.786
local terms energy: -48.246109
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -8.667
flat angles P-C4'-P energy: -6.450
tors. eta vs tors. theta energy: -9.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -86.886469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.886469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.886469 (E_RNA)
where:
Base-Base interactions energy: -41.593
where: short stacking energy: -25.497
Base-Backbone interact. energy: -0.041
local terms energy: -45.252487
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -10.640
flat angles C4'-P-C4' energy: -11.221
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -3.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -115.516947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.516947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.516947 (E_RNA)
where:
Base-Base interactions energy: -78.812
where: short stacking energy: -31.459
Base-Backbone interact. energy: -0.593
local terms energy: -36.112397
where:
bonds (distance) C4'-P energy: -8.852
bonds (distance) P-C4' energy: -6.611
flat angles C4'-P-C4' energy: -8.736
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: -5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -87.360429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.360429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.360429 (E_RNA)
where:
Base-Base interactions energy: -42.490
where: short stacking energy: -21.333
Base-Backbone interact. energy: -0.028
local terms energy: -44.842252
where:
bonds (distance) C4'-P energy: -10.520
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -5.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -78.990632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.990632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.990632 (E_RNA)
where:
Base-Base interactions energy: -32.243
where: short stacking energy: -23.737
Base-Backbone interact. energy: -0.132
local terms energy: -46.615800
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -8.559
flat angles C4'-P-C4' energy: -10.271
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -8.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -67.447222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.447222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.447222 (E_RNA)
where:
Base-Base interactions energy: -34.475
where: short stacking energy: -12.742
Base-Backbone interact. energy: -0.100
local terms energy: -32.872342
where:
bonds (distance) C4'-P energy: -6.434
bonds (distance) P-C4' energy: -11.603
flat angles C4'-P-C4' energy: -9.139
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: 1.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -54.715988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.715988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.715988 (E_RNA)
where:
Base-Base interactions energy: -25.168
where: short stacking energy: -14.971
Base-Backbone interact. energy: -0.058
local terms energy: -29.490569
where:
bonds (distance) C4'-P energy: -4.088
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -3.044
tors. eta vs tors. theta energy: 1.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -58.381195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.381195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.381195 (E_RNA)
where:
Base-Base interactions energy: -20.746
where: short stacking energy: -14.125
Base-Backbone interact. energy: -0.184
local terms energy: -37.451669
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -1.441
tors. eta vs tors. theta energy: -1.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -53.123615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.123615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.123615 (E_RNA)
where:
Base-Base interactions energy: -18.493
where: short stacking energy: -18.493
Base-Backbone interact. energy: -0.020
local terms energy: -34.610335
where:
bonds (distance) C4'-P energy: -7.506
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -10.970
flat angles P-C4'-P energy: -4.355
tors. eta vs tors. theta energy: -0.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -129.885443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.885443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.885443 (E_RNA)
where:
Base-Base interactions energy: -80.894
where: short stacking energy: -29.811
Base-Backbone interact. energy: -1.002
local terms energy: -47.989366
where:
bonds (distance) C4'-P energy: -9.305
bonds (distance) P-C4' energy: -13.794
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -5.565
tors. eta vs tors. theta energy: -6.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -140.898250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.898250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.898250 (E_RNA)
where:
Base-Base interactions energy: -90.670
where: short stacking energy: -39.503
Base-Backbone interact. energy: -0.496
local terms energy: -49.731564
where:
bonds (distance) C4'-P energy: -9.722
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -9.697
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -8.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -107.030130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.030130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.030130 (E_RNA)
where:
Base-Base interactions energy: -67.181
where: short stacking energy: -30.099
Base-Backbone interact. energy: 0.590
local terms energy: -40.439426
where:
bonds (distance) C4'-P energy: -8.572
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -7.254
tors. eta vs tors. theta energy: -1.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -75.455879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.455879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.455879 (E_RNA)
where:
Base-Base interactions energy: -29.621
where: short stacking energy: -28.659
Base-Backbone interact. energy: -0.077
local terms energy: -45.758208
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -9.145
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -5.286
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: 6
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -81.211436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.211436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.211436 (E_RNA)
where:
Base-Base interactions energy: -35.928
where: short stacking energy: -27.265
Base-Backbone interact. energy: -0.067
local terms energy: -45.216927
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -13.516
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -1.428
tors. eta vs tors. theta energy: -7.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -79.398315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.398315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.398315 (E_RNA)
where:
Base-Base interactions energy: -39.934
where: short stacking energy: -24.910
Base-Backbone interact. energy: 0.002
local terms energy: -39.466145
where:
bonds (distance) C4'-P energy: -9.470
bonds (distance) P-C4' energy: -7.828
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -6.386
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: 7, replica: 2
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -68.337029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.337029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.337029 (E_RNA)
where:
Base-Base interactions energy: -28.349
where: short stacking energy: -12.371
Base-Backbone interact. energy: -0.210
local terms energy: -39.777901
where:
bonds (distance) C4'-P energy: -9.266
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -8.871
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -0.857
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: 8, replica: 9
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -57.088822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.088822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.088822 (E_RNA)
where:
Base-Base interactions energy: -18.233
where: short stacking energy: -14.109
Base-Backbone interact. energy: -0.696
local terms energy: -38.160411
where:
bonds (distance) C4'-P energy: -9.028
bonds (distance) P-C4' energy: -11.977
flat angles C4'-P-C4' energy: -6.852
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -0.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -70.236950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.236950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.236950 (E_RNA)
where:
Base-Base interactions energy: -38.317
where: short stacking energy: -20.885
Base-Backbone interact. energy: -0.322
local terms energy: -31.598119
where:
bonds (distance) C4'-P energy: -7.648
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -6.990
flat angles P-C4'-P energy: -3.719
tors. eta vs tors. theta energy: -1.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -59.155904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.155904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.155904 (E_RNA)
where:
Base-Base interactions energy: -31.703
where: short stacking energy: -9.411
Base-Backbone interact. energy: -0.198
local terms energy: -27.254423
where:
bonds (distance) C4'-P energy: -7.917
bonds (distance) P-C4' energy: -10.308
flat angles C4'-P-C4' energy: -8.922
flat angles P-C4'-P energy: -0.001
tors. eta vs tors. theta energy: -0.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -130.517073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.517073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.517073 (E_RNA)
where:
Base-Base interactions energy: -85.281
where: short stacking energy: -31.963
Base-Backbone interact. energy: -0.219
local terms energy: -45.017208
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -10.644
flat angles C4'-P-C4' energy: -6.421
flat angles P-C4'-P energy: -6.317
tors. eta vs tors. theta energy: -11.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -119.219098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.219098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.219098 (E_RNA)
where:
Base-Base interactions energy: -70.057
where: short stacking energy: -23.770
Base-Backbone interact. energy: -0.114
local terms energy: -49.048353
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -3.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -107.739343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.739343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.739343 (E_RNA)
where:
Base-Base interactions energy: -67.076
where: short stacking energy: -34.984
Base-Backbone interact. energy: -0.049
local terms energy: -40.614505
where:
bonds (distance) C4'-P energy: -9.142
bonds (distance) P-C4' energy: -4.519
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -7.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -88.807879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.807879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.807879 (E_RNA)
where:
Base-Base interactions energy: -43.858
where: short stacking energy: -21.618
Base-Backbone interact. energy: -2.101
local terms energy: -42.848186
where:
bonds (distance) C4'-P energy: -8.105
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -8.714
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: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -63.354201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.354201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.354201 (E_RNA)
where:
Base-Base interactions energy: -21.964
where: short stacking energy: -21.964
Base-Backbone interact. energy: -0.010
local terms energy: -41.380744
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -8.662
flat angles C4'-P-C4' energy: -9.607
flat angles P-C4'-P energy: -6.408
tors. eta vs tors. theta energy: -5.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -65.099570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.099570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.099570 (E_RNA)
where:
Base-Base interactions energy: -21.368
where: short stacking energy: -18.683
Base-Backbone interact. energy: -0.113
local terms energy: -43.618168
where:
bonds (distance) C4'-P energy: -9.974
bonds (distance) P-C4' energy: -12.273
flat angles C4'-P-C4' energy: -7.364
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -5.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -70.862424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.862424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.862424 (E_RNA)
where:
Base-Base interactions energy: -26.645
where: short stacking energy: -20.596
Base-Backbone interact. energy: -0.079
local terms energy: -44.139295
where:
bonds (distance) C4'-P energy: -9.548
bonds (distance) P-C4' energy: -9.442
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -7.081
tors. eta vs tors. theta energy: -5.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -63.286526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.286526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.286526 (E_RNA)
where:
Base-Base interactions energy: -24.483
where: short stacking energy: -19.474
Base-Backbone interact. energy: 0.427
local terms energy: -39.231071
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -10.088
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -4.727
tors. eta vs tors. theta energy: -4.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -59.574301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.574301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.574301 (E_RNA)
where:
Base-Base interactions energy: -17.899
where: short stacking energy: -16.212
Base-Backbone interact. energy: -0.093
local terms energy: -41.582757
where:
bonds (distance) C4'-P energy: -10.706
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -8.213
flat angles P-C4'-P energy: -4.614
tors. eta vs tors. theta energy: -5.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -54.763994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.763994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.763994 (E_RNA)
where:
Base-Base interactions energy: -15.569
where: short stacking energy: -9.715
Base-Backbone interact. energy: -0.168
local terms energy: -39.027374
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -9.292
flat angles C4'-P-C4' energy: -9.470
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -1.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -139.636420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.636420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.636420 (E_RNA)
where:
Base-Base interactions energy: -83.918
where: short stacking energy: -38.204
Base-Backbone interact. energy: -1.357
local terms energy: -54.361445
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -11.576
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -11.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -113.642674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.642674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.642674 (E_RNA)
where:
Base-Base interactions energy: -65.976
where: short stacking energy: -27.431
Base-Backbone interact. energy: -0.594
local terms energy: -47.072997
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -7.769
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -6.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -94.920003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.920003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.920003 (E_RNA)
where:
Base-Base interactions energy: -53.927
where: short stacking energy: -27.151
Base-Backbone interact. energy: -0.143
local terms energy: -40.850079
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -10.126
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -2.999
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: 4, replica: 7
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -103.386323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.386323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.386323 (E_RNA)
where:
Base-Base interactions energy: -58.028
where: short stacking energy: -22.918
Base-Backbone interact. energy: -0.241
local terms energy: -45.117706
where:
bonds (distance) C4'-P energy: -8.998
bonds (distance) P-C4' energy: -11.457
flat angles C4'-P-C4' energy: -9.602
flat angles P-C4'-P energy: -8.469
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: 5, replica: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -65.311639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.311639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.311639 (E_RNA)
where:
Base-Base interactions energy: -30.146
where: short stacking energy: -19.623
Base-Backbone interact. energy: -0.130
local terms energy: -35.035453
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -7.830
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: 0.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -67.753606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.753606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.753606 (E_RNA)
where:
Base-Base interactions energy: -25.183
where: short stacking energy: -22.612
Base-Backbone interact. energy: -0.069
local terms energy: -42.501011
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -11.064
flat angles C4'-P-C4' energy: -10.165
flat angles P-C4'-P energy: -4.694
tors. eta vs tors. theta energy: -5.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -61.706993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.706993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.706993 (E_RNA)
where:
Base-Base interactions energy: -23.245
where: short stacking energy: -17.283
Base-Backbone interact. energy: -0.026
local terms energy: -38.435991
where:
bonds (distance) C4'-P energy: -9.510
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -10.402
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -0.622
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: 3
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -68.736668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.736668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.736668 (E_RNA)
where:
Base-Base interactions energy: -29.253
where: short stacking energy: -20.258
Base-Backbone interact. energy: -0.172
local terms energy: -39.312078
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -7.438
flat angles C4'-P-C4' energy: -7.619
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -5.714
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: 9
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -53.495210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.495210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.495210 (E_RNA)
where:
Base-Base interactions energy: -15.954
where: short stacking energy: -15.954
Base-Backbone interact. energy: -0.082
local terms energy: -37.459168
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -9.166
flat angles P-C4'-P energy: -2.934
tors. eta vs tors. theta energy: -1.731
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: 4
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -56.872578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.872578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.872578 (E_RNA)
where:
Base-Base interactions energy: -21.260
where: short stacking energy: -18.862
Base-Backbone interact. energy: -0.026
local terms energy: -35.586420
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -10.357
flat angles C4'-P-C4' energy: -8.100
flat angles P-C4'-P energy: -1.817
tors. eta vs tors. theta energy: -3.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -142.329638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.329638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.329638 (E_RNA)
where:
Base-Base interactions energy: -91.438
where: short stacking energy: -38.962
Base-Backbone interact. energy: -1.682
local terms energy: -49.209178
where:
bonds (distance) C4'-P energy: -9.131
bonds (distance) P-C4' energy: -11.003
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -5.329
tors. eta vs tors. theta energy: -10.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -128.058545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.058545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.058545 (E_RNA)
where:
Base-Base interactions energy: -82.697
where: short stacking energy: -27.460
Base-Backbone interact. energy: -1.347
local terms energy: -44.015302
where:
bonds (distance) C4'-P energy: -7.585
bonds (distance) P-C4' energy: -11.133
flat angles C4'-P-C4' energy: -10.997
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -6.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -81.369400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.369400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.369400 (E_RNA)
where:
Base-Base interactions energy: -40.200
where: short stacking energy: -20.286
Base-Backbone interact. energy: -0.013
local terms energy: -41.156621
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -9.538
flat angles C4'-P-C4' energy: -7.861
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -4.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -79.279247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.279247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.279247 (E_RNA)
where:
Base-Base interactions energy: -33.880
where: short stacking energy: -27.190
Base-Backbone interact. energy: -0.030
local terms energy: -45.368827
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -8.618
flat angles C4'-P-C4' energy: -9.731
flat angles P-C4'-P energy: -7.134
tors. eta vs tors. theta energy: -7.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -72.811429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.811429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.811429 (E_RNA)
where:
Base-Base interactions energy: -36.640
where: short stacking energy: -22.296
Base-Backbone interact. energy: -0.188
local terms energy: -35.983458
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -9.100
flat angles P-C4'-P energy: -5.304
tors. eta vs tors. theta energy: 1.809
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: 2
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -78.155591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.155591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.155591 (E_RNA)
where:
Base-Base interactions energy: -31.083
where: short stacking energy: -23.961
Base-Backbone interact. energy: -0.001
local terms energy: -47.071298
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -8.891
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -6.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -59.162066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.162066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.162066 (E_RNA)
where:
Base-Base interactions energy: -23.327
where: short stacking energy: -23.144
Base-Backbone interact. energy: -0.025
local terms energy: -35.810233
where:
bonds (distance) C4'-P energy: -8.248
bonds (distance) P-C4' energy: -9.641
flat angles C4'-P-C4' energy: -8.694
flat angles P-C4'-P energy: -5.930
tors. eta vs tors. theta energy: -3.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -58.938248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.938248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.938248 (E_RNA)
where:
Base-Base interactions energy: -25.270
where: short stacking energy: -13.558
Base-Backbone interact. energy: -0.143
local terms energy: -33.524971
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -3.701
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: 2.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -73.129414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.129414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.129414 (E_RNA)
where:
Base-Base interactions energy: -35.069
where: short stacking energy: -19.779
Base-Backbone interact. energy: -0.518
local terms energy: -37.541791
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -7.953
flat angles P-C4'-P energy: -5.542
tors. eta vs tors. theta energy: -1.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -56.153883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.153883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.153883 (E_RNA)
where:
Base-Base interactions energy: -17.153
where: short stacking energy: -5.251
Base-Backbone interact. energy: -0.998
local terms energy: -38.003223
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -12.254
flat angles C4'-P-C4' energy: -7.004
flat angles P-C4'-P energy: -6.135
tors. eta vs tors. theta energy: -0.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -128.078859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.078859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.078859 (E_RNA)
where:
Base-Base interactions energy: -77.614
where: short stacking energy: -35.223
Base-Backbone interact. energy: -0.007
local terms energy: -50.457727
where:
bonds (distance) C4'-P energy: -10.241
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -11.352
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -8.456
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: 10
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -139.468779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.468779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.468779 (E_RNA)
where:
Base-Base interactions energy: -82.490
where: short stacking energy: -33.695
Base-Backbone interact. energy: -0.947
local terms energy: -56.031995
where:
bonds (distance) C4'-P energy: -9.821
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -10.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -88.062475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.062475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.062475 (E_RNA)
where:
Base-Base interactions energy: -37.856
where: short stacking energy: -37.856
Base-Backbone interact. energy: -0.000
local terms energy: -50.206338
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -11.171
flat angles C4'-P-C4' energy: -8.538
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -10.992
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: 4, replica: 5
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -67.082532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.082532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.082532 (E_RNA)
where:
Base-Base interactions energy: -27.665
where: short stacking energy: -13.131
Base-Backbone interact. energy: -0.196
local terms energy: -39.221082
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -11.765
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -5.119
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: 5, replica: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -67.174930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.174930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.174930 (E_RNA)
where:
Base-Base interactions energy: -24.279
where: short stacking energy: -15.211
Base-Backbone interact. energy: -0.120
local terms energy: -42.775529
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -0.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -72.846907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.846907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.846907 (E_RNA)
where:
Base-Base interactions energy: -35.513
where: short stacking energy: -18.986
Base-Backbone interact. energy: -0.152
local terms energy: -37.181004
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -6.342
flat angles C4'-P-C4' energy: -9.663
flat angles P-C4'-P energy: -5.303
tors. eta vs tors. theta energy: -3.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -60.329360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.329360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.329360 (E_RNA)
where:
Base-Base interactions energy: -27.175
where: short stacking energy: -12.681
Base-Backbone interact. energy: -0.577
local terms energy: -32.577009
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -3.930
flat angles P-C4'-P energy: -7.254
tors. eta vs tors. theta energy: 0.177
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: 64
Temperature: 1.250000
Total energy: -53.557886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.557886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.557886 (E_RNA)
where:
Base-Base interactions energy: -20.284
where: short stacking energy: -20.284
Base-Backbone interact. energy: -0.248
local terms energy: -33.025438
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -10.784
flat angles C4'-P-C4' energy: -6.234
flat angles P-C4'-P energy: -3.252
tors. eta vs tors. theta energy: -1.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -65.591806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.591806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.591806 (E_RNA)
where:
Base-Base interactions energy: -26.710
where: short stacking energy: -15.688
Base-Backbone interact. energy: -0.341
local terms energy: -38.541636
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -9.481
flat angles C4'-P-C4' energy: -10.545
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -0.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -57.540340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.540340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.540340 (E_RNA)
where:
Base-Base interactions energy: -28.862
where: short stacking energy: -12.589
Base-Backbone interact. energy: -0.852
local terms energy: -27.826782
where:
bonds (distance) C4'-P energy: -10.334
bonds (distance) P-C4' energy: -6.285
flat angles C4'-P-C4' energy: -10.727
flat angles P-C4'-P energy: -3.204
tors. eta vs tors. theta energy: 2.723
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: 1
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -114.445146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.445146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.445146 (E_RNA)
where:
Base-Base interactions energy: -67.952
where: short stacking energy: -25.160
Base-Backbone interact. energy: -0.804
local terms energy: -45.689018
where:
bonds (distance) C4'-P energy: -10.016
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -10.917
flat angles P-C4'-P energy: -4.783
tors. eta vs tors. theta energy: -8.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -95.088759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.088759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.088759 (E_RNA)
where:
Base-Base interactions energy: -50.913
where: short stacking energy: -24.651
Base-Backbone interact. energy: -0.509
local terms energy: -43.666951
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: -10.463
flat angles C4'-P-C4' energy: -10.380
flat angles P-C4'-P energy: -9.006
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: 3, replica: 10
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -121.218586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.218586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.218586 (E_RNA)
where:
Base-Base interactions energy: -73.029
where: short stacking energy: -30.448
Base-Backbone interact. energy: -0.397
local terms energy: -47.792419
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -11.331
flat angles C4'-P-C4' energy: -11.029
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -5.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -81.367242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.367242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.367242 (E_RNA)
where:
Base-Base interactions energy: -45.312
where: short stacking energy: -19.184
Base-Backbone interact. energy: -0.104
local terms energy: -35.950976
where:
bonds (distance) C4'-P energy: -8.579
bonds (distance) P-C4' energy: -11.748
flat angles C4'-P-C4' energy: -10.658
flat angles P-C4'-P energy: -0.113
tors. eta vs tors. theta energy: -4.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -64.103633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.103633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.103633 (E_RNA)
where:
Base-Base interactions energy: -21.435
where: short stacking energy: -11.546
Base-Backbone interact. energy: -0.074
local terms energy: -42.595246
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -8.767
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -3.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -73.718853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.718853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.718853 (E_RNA)
where:
Base-Base interactions energy: -32.726
where: short stacking energy: -31.097
Base-Backbone interact. energy: -0.064
local terms energy: -40.928720
where:
bonds (distance) C4'-P energy: -8.924
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -7.919
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -4.841
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: 7
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -60.205438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.205438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.205438 (E_RNA)
where:
Base-Base interactions energy: -25.302
where: short stacking energy: -17.520
Base-Backbone interact. energy: -0.021
local terms energy: -34.883048
where:
bonds (distance) C4'-P energy: -8.575
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -7.035
flat angles P-C4'-P energy: -5.915
tors. eta vs tors. theta energy: -0.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -58.791051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.791051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.791051 (E_RNA)
where:
Base-Base interactions energy: -23.700
where: short stacking energy: -19.220
Base-Backbone interact. energy: -0.087
local terms energy: -35.003965
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -9.567
flat angles C4'-P-C4' energy: -9.331
flat angles P-C4'-P energy: -2.946
tors. eta vs tors. theta energy: -2.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -58.068434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.068434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.068434 (E_RNA)
where:
Base-Base interactions energy: -20.023
where: short stacking energy: -18.656
Base-Backbone interact. energy: -0.377
local terms energy: -37.668686
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -9.403
flat angles C4'-P-C4' energy: -9.003
flat angles P-C4'-P energy: -6.069
tors. eta vs tors. theta energy: -0.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -60.836255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.836255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.836255 (E_RNA)
where:
Base-Base interactions energy: -26.571
where: short stacking energy: -22.758
Base-Backbone interact. energy: -0.210
local terms energy: -34.054945
where:
bonds (distance) C4'-P energy: -8.261
bonds (distance) P-C4' energy: -9.037
flat angles C4'-P-C4' energy: -8.411
flat angles P-C4'-P energy: -1.456
tors. eta vs tors. theta energy: -6.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -129.275129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.275129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.275129 (E_RNA)
where:
Base-Base interactions energy: -79.612
where: short stacking energy: -31.516
Base-Backbone interact. energy: -0.604
local terms energy: -49.059212
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -4.463
tors. eta vs tors. theta energy: -8.322
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: 6
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -122.284957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.284957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.284957 (E_RNA)
where:
Base-Base interactions energy: -70.476
where: short stacking energy: -41.835
Base-Backbone interact. energy: -0.002
local terms energy: -51.807385
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -1.785
tors. eta vs tors. theta energy: -11.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -137.719674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.719674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.719674 (E_RNA)
where:
Base-Base interactions energy: -83.683
where: short stacking energy: -31.734
Base-Backbone interact. energy: -0.365
local terms energy: -53.671378
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -5.281
tors. eta vs tors. theta energy: -8.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -85.724552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.724552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.724552 (E_RNA)
where:
Base-Base interactions energy: -44.664
where: short stacking energy: -15.063
Base-Backbone interact. energy: -1.114
local terms energy: -39.946454
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -11.151
flat angles C4'-P-C4' energy: -10.932
flat angles P-C4'-P energy: -6.858
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: 5, replica: 9
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -78.387772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.387772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.387772 (E_RNA)
where:
Base-Base interactions energy: -31.583
where: short stacking energy: -29.677
Base-Backbone interact. energy: -0.913
local terms energy: -45.892593
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -9.864
flat angles C4'-P-C4' energy: -8.695
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -6.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -63.703691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.703691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.703691 (E_RNA)
where:
Base-Base interactions energy: -28.649
where: short stacking energy: -18.645
Base-Backbone interact. energy: -1.286
local terms energy: -33.768796
where:
bonds (distance) C4'-P energy: -9.841
bonds (distance) P-C4' energy: -10.221
flat angles C4'-P-C4' energy: -8.041
flat angles P-C4'-P energy: -5.373
tors. eta vs tors. theta energy: -0.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -73.726056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.726056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.726056 (E_RNA)
where:
Base-Base interactions energy: -41.293
where: short stacking energy: -11.313
Base-Backbone interact. energy: -0.088
local terms energy: -32.345553
where:
bonds (distance) C4'-P energy: -9.671
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -8.065
flat angles P-C4'-P energy: -3.397
tors. eta vs tors. theta energy: 0.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -60.790821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.790821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.790821 (E_RNA)
where:
Base-Base interactions energy: -25.570
where: short stacking energy: -20.844
Base-Backbone interact. energy: -0.924
local terms energy: -34.296798
where:
bonds (distance) C4'-P energy: -8.786
bonds (distance) P-C4' energy: -6.469
flat angles C4'-P-C4' energy: -8.059
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -3.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -65.191696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.191696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.191696 (E_RNA)
where:
Base-Base interactions energy: -28.549
where: short stacking energy: -18.155
Base-Backbone interact. energy: -0.087
local terms energy: -36.555841
where:
bonds (distance) C4'-P energy: -6.965
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -8.808
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -2.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -56.660772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.660772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.660772 (E_RNA)
where:
Base-Base interactions energy: -18.053
where: short stacking energy: -14.901
Base-Backbone interact. energy: -0.002
local terms energy: -38.605889
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -6.456
flat angles P-C4'-P energy: -8.317
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: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -128.789963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.789963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.789963 (E_RNA)
where:
Base-Base interactions energy: -77.019
where: short stacking energy: -33.056
Base-Backbone interact. energy: -0.066
local terms energy: -51.705162
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -5.717
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: 2, replica: 10
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -129.076717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.076717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.076717 (E_RNA)
where:
Base-Base interactions energy: -81.541
where: short stacking energy: -26.077
Base-Backbone interact. energy: -1.190
local terms energy: -46.345950
where:
bonds (distance) C4'-P energy: -8.865
bonds (distance) P-C4' energy: -9.809
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -8.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -126.403284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.403284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.403284 (E_RNA)
where:
Base-Base interactions energy: -72.268
where: short stacking energy: -39.922
Base-Backbone interact. energy: -0.000
local terms energy: -54.135249
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -13.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -97.459460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.459460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.459460 (E_RNA)
where:
Base-Base interactions energy: -49.166
where: short stacking energy: -37.715
Base-Backbone interact. energy: -0.390
local terms energy: -47.903606
where:
bonds (distance) C4'-P energy: -7.906
bonds (distance) P-C4' energy: -10.008
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -8.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -70.988036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.988036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.988036 (E_RNA)
where:
Base-Base interactions energy: -35.240
where: short stacking energy: -21.366
Base-Backbone interact. energy: 1.132
local terms energy: -36.879839
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -7.651
flat angles P-C4'-P energy: -1.445
tors. eta vs tors. theta energy: -3.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -68.426415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.426415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.426415 (E_RNA)
where:
Base-Base interactions energy: -23.686
where: short stacking energy: -23.686
Base-Backbone interact. energy: -0.283
local terms energy: -44.457953
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -1.379
tors. eta vs tors. theta energy: -8.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -69.872578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.872578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.872578 (E_RNA)
where:
Base-Base interactions energy: -33.056
where: short stacking energy: -18.241
Base-Backbone interact. energy: -0.031
local terms energy: -36.785416
where:
bonds (distance) C4'-P energy: -7.672
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -9.571
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -1.606
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: 4
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -60.093019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.093019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.093019 (E_RNA)
where:
Base-Base interactions energy: -21.885
where: short stacking energy: -18.277
Base-Backbone interact. energy: -0.012
local terms energy: -38.196703
where:
bonds (distance) C4'-P energy: -7.913
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -7.476
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -3.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -54.875585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.875585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.875585 (E_RNA)
where:
Base-Base interactions energy: -27.454
where: short stacking energy: -14.565
Base-Backbone interact. energy: -1.095
local terms energy: -26.326383
where:
bonds (distance) C4'-P energy: -9.854
bonds (distance) P-C4' energy: -9.549
flat angles C4'-P-C4' energy: -7.293
flat angles P-C4'-P energy: -2.838
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: 10, replica: 3
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -64.018435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.018435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.018435 (E_RNA)
where:
Base-Base interactions energy: -26.119
where: short stacking energy: -18.319
Base-Backbone interact. energy: -0.071
local terms energy: -37.828177
where:
bonds (distance) C4'-P energy: -10.674
bonds (distance) P-C4' energy: -10.926
flat angles C4'-P-C4' energy: -3.308
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -5.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -136.697446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.697446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.697446 (E_RNA)
where:
Base-Base interactions energy: -78.796
where: short stacking energy: -35.765
Base-Backbone interact. energy: -0.120
local terms energy: -57.781275
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -11.188
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: 2, replica: 1
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -110.344225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.344225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.344225 (E_RNA)
where:
Base-Base interactions energy: -62.690
where: short stacking energy: -36.479
Base-Backbone interact. energy: -0.004
local terms energy: -47.650049
where:
bonds (distance) C4'-P energy: -8.538
bonds (distance) P-C4' energy: -11.071
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -6.464
tors. eta vs tors. theta energy: -9.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -103.017016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.017016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.017016 (E_RNA)
where:
Base-Base interactions energy: -53.210
where: short stacking energy: -31.601
Base-Backbone interact. energy: -0.064
local terms energy: -49.743520
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -9.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -101.189285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.189285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.189285 (E_RNA)
where:
Base-Base interactions energy: -56.114
where: short stacking energy: -28.279
Base-Backbone interact. energy: 0.925
local terms energy: -46.000481
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -9.895
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -6.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -68.487348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.487348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.487348 (E_RNA)
where:
Base-Base interactions energy: -25.527
where: short stacking energy: -21.116
Base-Backbone interact. energy: -0.244
local terms energy: -42.716436
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -9.510
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: -1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -64.354511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.354511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.354511 (E_RNA)
where:
Base-Base interactions energy: -21.624
where: short stacking energy: -11.251
Base-Backbone interact. energy: -0.072
local terms energy: -42.658166
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -10.158
flat angles C4'-P-C4' energy: -9.471
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -4.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -67.747405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.747405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.747405 (E_RNA)
where:
Base-Base interactions energy: -27.724
where: short stacking energy: -26.122
Base-Backbone interact. energy: -0.150
local terms energy: -39.873359
where:
bonds (distance) C4'-P energy: -6.074
bonds (distance) P-C4' energy: -11.592
flat angles C4'-P-C4' energy: -8.083
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -6.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -63.656584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.656584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.656584 (E_RNA)
where:
Base-Base interactions energy: -22.089
where: short stacking energy: -17.176
Base-Backbone interact. energy: -0.379
local terms energy: -41.188878
where:
bonds (distance) C4'-P energy: -8.974
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -6.604
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: -5.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -63.498993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.498993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.498993 (E_RNA)
where:
Base-Base interactions energy: -23.183
where: short stacking energy: -23.183
Base-Backbone interact. energy: -0.054
local terms energy: -40.262510
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -10.130
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -3.633
tors. eta vs tors. theta energy: -5.349
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: 7
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -58.925225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.925225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.925225 (E_RNA)
where:
Base-Base interactions energy: -19.121
where: short stacking energy: -17.896
Base-Backbone interact. energy: -0.084
local terms energy: -39.720647
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -8.992
flat angles P-C4'-P energy: -4.192
tors. eta vs tors. theta energy: -1.807
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: 1, replica: 10
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -125.532464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.532464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.532464 (E_RNA)
where:
Base-Base interactions energy: -79.766
where: short stacking energy: -24.874
Base-Backbone interact. energy: -0.078
local terms energy: -45.687680
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -8.345
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -4.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -131.070503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.070503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.070503 (E_RNA)
where:
Base-Base interactions energy: -78.348
where: short stacking energy: -37.322
Base-Backbone interact. energy: -0.003
local terms energy: -52.719938
where:
bonds (distance) C4'-P energy: -7.125
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -10.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -99.537503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.537503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.537503 (E_RNA)
where:
Base-Base interactions energy: -57.705
where: short stacking energy: -27.884
Base-Backbone interact. energy: -0.032
local terms energy: -41.800026
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -9.630
flat angles P-C4'-P energy: -4.654
tors. eta vs tors. theta energy: -4.511
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: 8
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -79.893360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.893360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.893360 (E_RNA)
where:
Base-Base interactions energy: -38.249
where: short stacking energy: -26.425
Base-Backbone interact. energy: -0.093
local terms energy: -41.551938
where:
bonds (distance) C4'-P energy: -6.793
bonds (distance) P-C4' energy: -11.236
flat angles C4'-P-C4' energy: -10.346
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -4.361
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: 6
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -82.858620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.858620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.858620 (E_RNA)
where:
Base-Base interactions energy: -44.742
where: short stacking energy: -16.949
Base-Backbone interact. energy: -0.624
local terms energy: -37.492033
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -11.557
flat angles C4'-P-C4' energy: -9.206
flat angles P-C4'-P energy: -5.520
tors. eta vs tors. theta energy: -0.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -80.476464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.476464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.476464 (E_RNA)
where:
Base-Base interactions energy: -44.066
where: short stacking energy: -22.343
Base-Backbone interact. energy: -0.513
local terms energy: -35.896972
where:
bonds (distance) C4'-P energy: -9.510
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -6.106
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -1.099
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: 9
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -59.690869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.690869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.690869 (E_RNA)
where:
Base-Base interactions energy: -20.093
where: short stacking energy: -17.817
Base-Backbone interact. energy: -0.253
local terms energy: -39.345171
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -7.807
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -0.226
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: 3
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -75.560675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.560675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.560675 (E_RNA)
where:
Base-Base interactions energy: -37.045
where: short stacking energy: -25.767
Base-Backbone interact. energy: 2.323
local terms energy: -40.838347
where:
bonds (distance) C4'-P energy: -8.613
bonds (distance) P-C4' energy: -7.979
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -2.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -53.681233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.681233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.681233 (E_RNA)
where:
Base-Base interactions energy: -11.818
where: short stacking energy: -9.240
Base-Backbone interact. energy: -0.089
local terms energy: -41.773316
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -11.092
flat angles C4'-P-C4' energy: -8.512
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -1.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -57.671692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.671692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.671692 (E_RNA)
where:
Base-Base interactions energy: -29.272
where: short stacking energy: -12.093
Base-Backbone interact. energy: -0.760
local terms energy: -27.640502
where:
bonds (distance) C4'-P energy: -9.577
bonds (distance) P-C4' energy: -10.366
flat angles C4'-P-C4' energy: -6.894
flat angles P-C4'-P energy: -1.584
tors. eta vs tors. theta energy: 0.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -132.446154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.446154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.446154 (E_RNA)
where:
Base-Base interactions energy: -80.486
where: short stacking energy: -39.608
Base-Backbone interact. energy: -0.943
local terms energy: -51.017567
where:
bonds (distance) C4'-P energy: -9.213
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -6.245
tors. eta vs tors. theta energy: -11.136
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: 2, replica: 2
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -116.067594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.067594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.067594 (E_RNA)
where:
Base-Base interactions energy: -70.693
where: short stacking energy: -25.402
Base-Backbone interact. energy: 0.050
local terms energy: -45.424764
where:
bonds (distance) C4'-P energy: -9.531
bonds (distance) P-C4' energy: -9.493
flat angles C4'-P-C4' energy: -9.456
flat angles P-C4'-P energy: -5.524
tors. eta vs tors. theta energy: -11.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -110.120294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.120294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.120294 (E_RNA)
where:
Base-Base interactions energy: -61.126
where: short stacking energy: -39.169
Base-Backbone interact. energy: -0.006
local terms energy: -48.988889
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -9.480
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: -9.300
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: 8
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -81.865511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.865511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.865511 (E_RNA)
where:
Base-Base interactions energy: -42.230
where: short stacking energy: -24.272
Base-Backbone interact. energy: -0.137
local terms energy: -39.498756
where:
bonds (distance) C4'-P energy: -9.102
bonds (distance) P-C4' energy: -9.493
flat angles C4'-P-C4' energy: -9.261
flat angles P-C4'-P energy: -3.734
tors. eta vs tors. theta energy: -7.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -90.827804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.827804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.827804 (E_RNA)
where:
Base-Base interactions energy: -47.435
where: short stacking energy: -35.583
Base-Backbone interact. energy: -0.012
local terms energy: -43.380949
where:
bonds (distance) C4'-P energy: -11.134
bonds (distance) P-C4' energy: -9.922
flat angles C4'-P-C4' energy: -9.090
flat angles P-C4'-P energy: -6.505
tors. eta vs tors. theta energy: -6.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -76.406838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.406838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.406838 (E_RNA)
where:
Base-Base interactions energy: -42.058
where: short stacking energy: -17.849
Base-Backbone interact. energy: -0.331
local terms energy: -34.018073
where:
bonds (distance) C4'-P energy: -9.657
bonds (distance) P-C4' energy: -9.354
flat angles C4'-P-C4' energy: -8.929
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: 1.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -58.188148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.188148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.188148 (E_RNA)
where:
Base-Base interactions energy: -14.731
where: short stacking energy: -12.765
Base-Backbone interact. energy: -0.013
local terms energy: -43.444228
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -9.985
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -1.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -63.137748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.137748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.137748 (E_RNA)
where:
Base-Base interactions energy: -21.001
where: short stacking energy: -17.413
Base-Backbone interact. energy: -0.005
local terms energy: -42.131439
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -9.938
flat angles C4'-P-C4' energy: -7.566
flat angles P-C4'-P energy: -5.418
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: 9, replica: 7
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -65.424930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.424930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.424930 (E_RNA)
where:
Base-Base interactions energy: -28.483
where: short stacking energy: -20.496
Base-Backbone interact. energy: -0.094
local terms energy: -36.847788
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -7.077
flat angles P-C4'-P energy: -5.105
tors. eta vs tors. theta energy: -3.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -54.800118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.800118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.800118 (E_RNA)
where:
Base-Base interactions energy: -14.893
where: short stacking energy: -10.725
Base-Backbone interact. energy: -0.117
local terms energy: -39.790766
where:
bonds (distance) C4'-P energy: -10.458
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -10.613
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: -0.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -136.019335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.019335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.019335 (E_RNA)
where:
Base-Base interactions energy: -80.314
where: short stacking energy: -32.036
Base-Backbone interact. energy: -1.014
local terms energy: -54.690709
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -11.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -119.064615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.064615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.064615 (E_RNA)
where:
Base-Base interactions energy: -68.053
where: short stacking energy: -26.676
Base-Backbone interact. energy: -0.611
local terms energy: -50.400784
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -4.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -110.183899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.183899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.183899 (E_RNA)
where:
Base-Base interactions energy: -63.612
where: short stacking energy: -30.081
Base-Backbone interact. energy: -0.155
local terms energy: -46.416831
where:
bonds (distance) C4'-P energy: -9.495
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -5.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -85.593589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.593589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.593589 (E_RNA)
where:
Base-Base interactions energy: -45.520
where: short stacking energy: -17.752
Base-Backbone interact. energy: -0.017
local terms energy: -40.057216
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -10.064
flat angles P-C4'-P energy: -6.320
tors. eta vs tors. theta energy: -0.388
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: 71
Temperature: 1.100000
Total energy: -84.178834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.178834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.178834 (E_RNA)
where:
Base-Base interactions energy: -44.393
where: short stacking energy: -27.668
Base-Backbone interact. energy: -0.134
local terms energy: -39.651437
where:
bonds (distance) C4'-P energy: -9.901
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -8.254
flat angles P-C4'-P energy: -5.729
tors. eta vs tors. theta energy: -3.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -78.490518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.490518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.490518 (E_RNA)
where:
Base-Base interactions energy: -29.384
where: short stacking energy: -22.221
Base-Backbone interact. energy: -0.316
local terms energy: -48.790798
where:
bonds (distance) C4'-P energy: -10.267
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -9.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -51.145067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.145067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.145067 (E_RNA)
where:
Base-Base interactions energy: -23.349
where: short stacking energy: -15.258
Base-Backbone interact. energy: 0.533
local terms energy: -28.329358
where:
bonds (distance) C4'-P energy: -9.734
bonds (distance) P-C4' energy: -9.743
flat angles C4'-P-C4' energy: -3.152
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: 0.903
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: 7
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -56.211880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.211880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.211880 (E_RNA)
where:
Base-Base interactions energy: -16.323
where: short stacking energy: -9.666
Base-Backbone interact. energy: -0.924
local terms energy: -38.965097
where:
bonds (distance) C4'-P energy: -8.153
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -8.316
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -1.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -60.796509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.796509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.796509 (E_RNA)
where:
Base-Base interactions energy: -23.913
where: short stacking energy: -23.307
Base-Backbone interact. energy: -0.101
local terms energy: -36.782207
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -8.248
flat angles P-C4'-P energy: -2.731
tors. eta vs tors. theta energy: -1.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -61.629100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.629100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.629100 (E_RNA)
where:
Base-Base interactions energy: -33.706
where: short stacking energy: -15.744
Base-Backbone interact. energy: -0.588
local terms energy: -27.335451
where:
bonds (distance) C4'-P energy: -6.306
bonds (distance) P-C4' energy: -8.676
flat angles C4'-P-C4' energy: -7.157
flat angles P-C4'-P energy: -5.791
tors. eta vs tors. theta energy: 0.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -126.326726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.326726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.326726 (E_RNA)
where:
Base-Base interactions energy: -75.066
where: short stacking energy: -40.253
Base-Backbone interact. energy: 0.387
local terms energy: -51.647785
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -10.386
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -5.891
tors. eta vs tors. theta energy: -11.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -127.606968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.606968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.606968 (E_RNA)
where:
Base-Base interactions energy: -87.527
where: short stacking energy: -35.348
Base-Backbone interact. energy: -0.162
local terms energy: -39.917875
where:
bonds (distance) C4'-P energy: -9.450
bonds (distance) P-C4' energy: -9.741
flat angles C4'-P-C4' energy: -9.681
flat angles P-C4'-P energy: -4.330
tors. eta vs tors. theta energy: -6.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -80.650744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.650744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.650744 (E_RNA)
where:
Base-Base interactions energy: -39.631
where: short stacking energy: -31.773
Base-Backbone interact. energy: 0.083
local terms energy: -41.102230
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -6.515
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -3.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -100.885671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.885671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.885671 (E_RNA)
where:
Base-Base interactions energy: -59.420
where: short stacking energy: -36.260
Base-Backbone interact. energy: -0.143
local terms energy: -41.322675
where:
bonds (distance) C4'-P energy: -8.944
bonds (distance) P-C4' energy: -10.100
flat angles C4'-P-C4' energy: -10.101
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -4.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -83.243260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.243260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.243260 (E_RNA)
where:
Base-Base interactions energy: -41.471
where: short stacking energy: -21.187
Base-Backbone interact. energy: -0.089
local terms energy: -41.683044
where:
bonds (distance) C4'-P energy: -8.696
bonds (distance) P-C4' energy: -11.039
flat angles C4'-P-C4' energy: -7.989
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -4.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -59.437294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.437294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.437294 (E_RNA)
where:
Base-Base interactions energy: -26.870
where: short stacking energy: -15.294
Base-Backbone interact. energy: -0.144
local terms energy: -32.422710
where:
bonds (distance) C4'-P energy: -10.135
bonds (distance) P-C4' energy: -8.889
flat angles C4'-P-C4' energy: -5.969
flat angles P-C4'-P energy: -5.625
tors. eta vs tors. theta energy: -1.805
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: 7
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -70.116440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.116440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.116440 (E_RNA)
where:
Base-Base interactions energy: -27.640
where: short stacking energy: -20.108
Base-Backbone interact. energy: -0.008
local terms energy: -42.468298
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -6.520
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: -7.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -63.753993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.753993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.753993 (E_RNA)
where:
Base-Base interactions energy: -25.139
where: short stacking energy: -19.168
Base-Backbone interact. energy: -0.098
local terms energy: -38.517436
where:
bonds (distance) C4'-P energy: -5.266
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -9.823
flat angles P-C4'-P energy: -6.819
tors. eta vs tors. theta energy: -4.387
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: 5
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -66.040745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.040745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.040745 (E_RNA)
where:
Base-Base interactions energy: -20.774
where: short stacking energy: -19.749
Base-Backbone interact. energy: -0.081
local terms energy: -45.185741
where:
bonds (distance) C4'-P energy: -8.704
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -10.042
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -6.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -57.471107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.471107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.471107 (E_RNA)
where:
Base-Base interactions energy: -22.664
where: short stacking energy: -19.602
Base-Backbone interact. energy: -0.128
local terms energy: -34.679466
where:
bonds (distance) C4'-P energy: -3.826
bonds (distance) P-C4' energy: -11.289
flat angles C4'-P-C4' energy: -9.432
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -0.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -127.272738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.272738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.272738 (E_RNA)
where:
Base-Base interactions energy: -76.156
where: short stacking energy: -39.032
Base-Backbone interact. energy: -0.058
local terms energy: -51.057923
where:
bonds (distance) C4'-P energy: -8.745
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -10.390
flat angles P-C4'-P energy: -6.823
tors. eta vs tors. theta energy: -12.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -115.384302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.384302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.384302 (E_RNA)
where:
Base-Base interactions energy: -69.149
where: short stacking energy: -24.772
Base-Backbone interact. energy: -0.389
local terms energy: -45.845895
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -9.776
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -4.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -75.701991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.701991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.701991 (E_RNA)
where:
Base-Base interactions energy: -34.230
where: short stacking energy: -23.820
Base-Backbone interact. energy: -0.008
local terms energy: -41.464177
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -4.367
tors. eta vs tors. theta energy: -1.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -71.344027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.344027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.344027 (E_RNA)
where:
Base-Base interactions energy: -34.059
where: short stacking energy: -14.381
Base-Backbone interact. energy: -0.065
local terms energy: -37.219769
where:
bonds (distance) C4'-P energy: -7.962
bonds (distance) P-C4' energy: -11.557
flat angles C4'-P-C4' energy: -10.012
flat angles P-C4'-P energy: -5.706
tors. eta vs tors. theta energy: -1.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -85.196895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.196895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.196895 (E_RNA)
where:
Base-Base interactions energy: -44.056
where: short stacking energy: -26.748
Base-Backbone interact. energy: -0.026
local terms energy: -41.114184
where:
bonds (distance) C4'-P energy: -7.726
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -8.557
flat angles P-C4'-P energy: -5.027
tors. eta vs tors. theta energy: -7.018
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: 6, replica: 7
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -69.710961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.710961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.710961 (E_RNA)
where:
Base-Base interactions energy: -35.083
where: short stacking energy: -9.875
Base-Backbone interact. energy: -0.840
local terms energy: -33.787985
where:
bonds (distance) C4'-P energy: -8.315
bonds (distance) P-C4' energy: -10.069
flat angles C4'-P-C4' energy: -10.052
flat angles P-C4'-P energy: -5.244
tors. eta vs tors. theta energy: -0.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -66.892016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.892016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.892016 (E_RNA)
where:
Base-Base interactions energy: -28.784
where: short stacking energy: -18.316
Base-Backbone interact. energy: -0.053
local terms energy: -38.054831
where:
bonds (distance) C4'-P energy: -5.826
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -8.106
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -2.600
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: 3
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -57.654945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.654945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.654945 (E_RNA)
where:
Base-Base interactions energy: -19.344
where: short stacking energy: -15.222
Base-Backbone interact. energy: -0.386
local terms energy: -37.925115
where:
bonds (distance) C4'-P energy: -8.558
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: 1.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -54.293927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.293927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.293927 (E_RNA)
where:
Base-Base interactions energy: -15.743
where: short stacking energy: -15.016
Base-Backbone interact. energy: -0.186
local terms energy: -38.364592
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -8.472
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: -0.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -52.972651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.972651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.972651 (E_RNA)
where:
Base-Base interactions energy: -18.071
where: short stacking energy: -9.892
Base-Backbone interact. energy: -0.108
local terms energy: -34.793781
where:
bonds (distance) C4'-P energy: -7.892
bonds (distance) P-C4' energy: -10.498
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -5.860
tors. eta vs tors. theta energy: 0.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -132.440642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.440642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.440642 (E_RNA)
where:
Base-Base interactions energy: -79.260
where: short stacking energy: -35.208
Base-Backbone interact. energy: -0.572
local terms energy: -52.608405
where:
bonds (distance) C4'-P energy: -11.227
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -10.040
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: 2
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -122.258631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.258631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.258631 (E_RNA)
where:
Base-Base interactions energy: -76.922
where: short stacking energy: -35.328
Base-Backbone interact. energy: 0.056
local terms energy: -45.392907
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -10.562
flat angles P-C4'-P energy: -2.081
tors. eta vs tors. theta energy: -9.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -77.353331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.353331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.353331 (E_RNA)
where:
Base-Base interactions energy: -34.299
where: short stacking energy: -34.299
Base-Backbone interact. energy: -0.017
local terms energy: -43.037298
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -11.003
flat angles C4'-P-C4' energy: -4.827
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -7.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -85.391691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.391691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.391691 (E_RNA)
where:
Base-Base interactions energy: -43.028
where: short stacking energy: -30.088
Base-Backbone interact. energy: -0.005
local terms energy: -42.358135
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -7.189
flat angles C4'-P-C4' energy: -9.443
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -6.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -70.321915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.321915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.321915 (E_RNA)
where:
Base-Base interactions energy: -28.956
where: short stacking energy: -17.781
Base-Backbone interact. energy: -1.347
local terms energy: -40.018914
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -9.505
flat angles C4'-P-C4' energy: -9.984
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -1.723
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: 1
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -76.411034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.411034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.411034 (E_RNA)
where:
Base-Base interactions energy: -40.179
where: short stacking energy: -25.355
Base-Backbone interact. energy: -0.727
local terms energy: -35.505010
where:
bonds (distance) C4'-P energy: -8.605
bonds (distance) P-C4' energy: -9.519
flat angles C4'-P-C4' energy: -10.341
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -0.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -77.836916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.836916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.836916 (E_RNA)
where:
Base-Base interactions energy: -49.227
where: short stacking energy: -15.088
Base-Backbone interact. energy: -0.098
local terms energy: -28.511961
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -9.025
flat angles C4'-P-C4' energy: -7.478
flat angles P-C4'-P energy: 0.478
tors. eta vs tors. theta energy: -1.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -61.616607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.616607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.616607 (E_RNA)
where:
Base-Base interactions energy: -23.583
where: short stacking energy: -23.335
Base-Backbone interact. energy: -0.026
local terms energy: -38.007958
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -8.134
flat angles C4'-P-C4' energy: -10.317
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: -3.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -62.485934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.485934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.485934 (E_RNA)
where:
Base-Base interactions energy: -26.736
where: short stacking energy: -20.394
Base-Backbone interact. energy: -0.003
local terms energy: -35.747356
where:
bonds (distance) C4'-P energy: -6.816
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -8.826
flat angles P-C4'-P energy: -1.245
tors. eta vs tors. theta energy: -6.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -54.330469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.330469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.330469 (E_RNA)
where:
Base-Base interactions energy: -19.406
where: short stacking energy: -19.406
Base-Backbone interact. energy: -0.075
local terms energy: -34.848993
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -7.472
flat angles P-C4'-P energy: -5.699
tors. eta vs tors. theta energy: -1.051
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: 75
Temperature: 0.900000
Total energy: -133.903230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.903230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.903230 (E_RNA)
where:
Base-Base interactions energy: -86.846
where: short stacking energy: -38.488
Base-Backbone interact. energy: -0.556
local terms energy: -46.501248
where:
bonds (distance) C4'-P energy: -6.469
bonds (distance) P-C4' energy: -11.580
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -6.808
tors. eta vs tors. theta energy: -10.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -121.862895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.862895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.862895 (E_RNA)
where:
Base-Base interactions energy: -78.863
where: short stacking energy: -34.355
Base-Backbone interact. energy: 2.424
local terms energy: -45.423434
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -9.865
flat angles P-C4'-P energy: -5.554
tors. eta vs tors. theta energy: -7.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -74.132513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.132513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.132513 (E_RNA)
where:
Base-Base interactions energy: -36.303
where: short stacking energy: -18.777
Base-Backbone interact. energy: -0.025
local terms energy: -37.804593
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -8.452
flat angles P-C4'-P energy: -4.392
tors. eta vs tors. theta energy: -1.252
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: 75
Temperature: 1.050000
Total energy: -98.858987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.858987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.858987 (E_RNA)
where:
Base-Base interactions energy: -57.490
where: short stacking energy: -32.629
Base-Backbone interact. energy: -0.460
local terms energy: -40.908620
where:
bonds (distance) C4'-P energy: -5.570
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -6.702
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: 5, replica: 8
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -62.871725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.871725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.871725 (E_RNA)
where:
Base-Base interactions energy: -21.267
where: short stacking energy: -21.267
Base-Backbone interact. energy: 0.393
local terms energy: -41.997493
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -8.662
flat angles C4'-P-C4' energy: -9.997
flat angles P-C4'-P energy: -7.978
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: 6, replica: 3
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -72.449562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.449562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.449562 (E_RNA)
where:
Base-Base interactions energy: -38.730
where: short stacking energy: -16.755
Base-Backbone interact. energy: -0.455
local terms energy: -33.264149
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -8.342
flat angles C4'-P-C4' energy: -7.047
flat angles P-C4'-P energy: -7.653
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: 7, replica: 1
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -61.743488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.743488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.743488 (E_RNA)
where:
Base-Base interactions energy: -26.886
where: short stacking energy: -19.220
Base-Backbone interact. energy: -0.502
local terms energy: -34.355288
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -9.034
flat angles C4'-P-C4' energy: -9.268
flat angles P-C4'-P energy: -1.455
tors. eta vs tors. theta energy: -2.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -65.484576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.484576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.484576 (E_RNA)
where:
Base-Base interactions energy: -30.283
where: short stacking energy: -30.283
Base-Backbone interact. energy: -0.034
local terms energy: -35.167452
where:
bonds (distance) C4'-P energy: 0.769
bonds (distance) P-C4' energy: -7.159
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -9.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -59.556911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.556911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.556911 (E_RNA)
where:
Base-Base interactions energy: -18.290
where: short stacking energy: -18.490
Base-Backbone interact. energy: -0.125
local terms energy: -41.142160
where:
bonds (distance) C4'-P energy: -6.981
bonds (distance) P-C4' energy: -12.016
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -6.819
tors. eta vs tors. theta energy: -3.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -55.409584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.409584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.409584 (E_RNA)
where:
Base-Base interactions energy: -19.378
where: short stacking energy: -16.740
Base-Backbone interact. energy: -0.122
local terms energy: -35.909760
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -8.389
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: 3.657
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: 1, replica: 10
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -132.549301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.549301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.549301 (E_RNA)
where:
Base-Base interactions energy: -79.198
where: short stacking energy: -36.176
Base-Backbone interact. energy: -1.962
local terms energy: -51.389701
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -5.285
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: 2, replica: 2
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -127.929177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.929177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.929177 (E_RNA)
where:
Base-Base interactions energy: -73.985
where: short stacking energy: -42.020
Base-Backbone interact. energy: -0.036
local terms energy: -53.908534
where:
bonds (distance) C4'-P energy: -9.725
bonds (distance) P-C4' energy: -9.061
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -15.400
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: 7
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -95.615607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.615607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.615607 (E_RNA)
where:
Base-Base interactions energy: -45.779
where: short stacking energy: -26.452
Base-Backbone interact. energy: -0.070
local terms energy: -49.767128
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -10.438
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -7.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -72.082024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.082024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.082024 (E_RNA)
where:
Base-Base interactions energy: -24.206
where: short stacking energy: -22.299
Base-Backbone interact. energy: -0.001
local terms energy: -47.874802
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -8.937
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: -8.312
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: 3
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -71.946769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.946769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.946769 (E_RNA)
where:
Base-Base interactions energy: -28.257
where: short stacking energy: -28.257
Base-Backbone interact. energy: -0.174
local terms energy: -43.515654
where:
bonds (distance) C4'-P energy: -10.149
bonds (distance) P-C4' energy: -4.825
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -75.027577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.027577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.027577 (E_RNA)
where:
Base-Base interactions energy: -28.431
where: short stacking energy: -24.442
Base-Backbone interact. energy: -0.099
local terms energy: -46.497590
where:
bonds (distance) C4'-P energy: -11.021
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -9.547
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -5.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -63.108482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.108482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.108482 (E_RNA)
where:
Base-Base interactions energy: -27.518
where: short stacking energy: -13.815
Base-Backbone interact. energy: -0.204
local terms energy: -35.387130
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -7.192
flat angles C4'-P-C4' energy: -9.313
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -0.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -61.522650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.522650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.522650 (E_RNA)
where:
Base-Base interactions energy: -16.384
where: short stacking energy: -16.384
Base-Backbone interact. energy: -0.136
local terms energy: -45.003313
where:
bonds (distance) C4'-P energy: -8.840
bonds (distance) P-C4' energy: -9.834
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -7.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -58.647637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.647637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.647637 (E_RNA)
where:
Base-Base interactions energy: -17.257
where: short stacking energy: -17.257
Base-Backbone interact. energy: -0.176
local terms energy: -41.214904
where:
bonds (distance) C4'-P energy: -9.250
bonds (distance) P-C4' energy: -10.067
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -2.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -51.305017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.305017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.305017 (E_RNA)
where:
Base-Base interactions energy: -14.629
where: short stacking energy: -15.300
Base-Backbone interact. energy: -0.041
local terms energy: -36.635519
where:
bonds (distance) C4'-P energy: -7.595
bonds (distance) P-C4' energy: -8.009
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -1.289
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: 1, replica: 10
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -135.285729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.285729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.285729 (E_RNA)
where:
Base-Base interactions energy: -87.569
where: short stacking energy: -34.521
Base-Backbone interact. energy: -0.316
local terms energy: -47.401254
where:
bonds (distance) C4'-P energy: -8.912
bonds (distance) P-C4' energy: -9.017
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -7.326
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: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -122.559817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.559817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.559817 (E_RNA)
where:
Base-Base interactions energy: -70.696
where: short stacking energy: -37.604
Base-Backbone interact. energy: 0.079
local terms energy: -51.942588
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -5.896
tors. eta vs tors. theta energy: -10.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -91.453312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.453312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.453312 (E_RNA)
where:
Base-Base interactions energy: -44.999
where: short stacking energy: -35.567
Base-Backbone interact. energy: -0.628
local terms energy: -45.826794
where:
bonds (distance) C4'-P energy: -10.025
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -9.782
flat angles P-C4'-P energy: -5.840
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: 4, replica: 4
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -75.196260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.196260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.196260 (E_RNA)
where:
Base-Base interactions energy: -28.971
where: short stacking energy: -25.242
Base-Backbone interact. energy: -0.160
local terms energy: -46.065049
where:
bonds (distance) C4'-P energy: -8.943
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -10.802
flat angles P-C4'-P energy: -9.214
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: 5, replica: 3
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -92.794416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.794416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.794416 (E_RNA)
where:
Base-Base interactions energy: -54.104
where: short stacking energy: -18.823
Base-Backbone interact. energy: -0.092
local terms energy: -38.598609
where:
bonds (distance) C4'-P energy: -7.469
bonds (distance) P-C4' energy: -10.796
flat angles C4'-P-C4' energy: -8.701
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -2.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -67.592442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.592442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.592442 (E_RNA)
where:
Base-Base interactions energy: -27.333
where: short stacking energy: -13.354
Base-Backbone interact. energy: -0.356
local terms energy: -39.902732
where:
bonds (distance) C4'-P energy: -6.755
bonds (distance) P-C4' energy: -8.643
flat angles C4'-P-C4' energy: -10.193
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -5.140
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: 8
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -68.351484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.351484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.351484 (E_RNA)
where:
Base-Base interactions energy: -31.206
where: short stacking energy: -24.024
Base-Backbone interact. energy: -0.038
local terms energy: -37.107402
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -9.366
flat angles P-C4'-P energy: -3.886
tors. eta vs tors. theta energy: -1.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -59.461945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.461945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.461945 (E_RNA)
where:
Base-Base interactions energy: -20.583
where: short stacking energy: -19.106
Base-Backbone interact. energy: -0.131
local terms energy: -38.748728
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -7.712
flat angles C4'-P-C4' energy: -6.044
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -5.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -58.615039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.615039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.615039 (E_RNA)
where:
Base-Base interactions energy: -19.525
where: short stacking energy: -17.457
Base-Backbone interact. energy: -0.164
local terms energy: -38.925939
where:
bonds (distance) C4'-P energy: -11.352
bonds (distance) P-C4' energy: -10.958
flat angles C4'-P-C4' energy: -9.106
flat angles P-C4'-P energy: -5.662
tors. eta vs tors. theta energy: -1.847
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: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -62.626411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.626411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.626411 (E_RNA)
where:
Base-Base interactions energy: -19.660
where: short stacking energy: -19.395
Base-Backbone interact. energy: -0.205
local terms energy: -42.760469
where:
bonds (distance) C4'-P energy: -9.225
bonds (distance) P-C4' energy: -10.482
flat angles C4'-P-C4' energy: -9.501
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -4.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -127.458025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.458025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.458025 (E_RNA)
where:
Base-Base interactions energy: -80.773
where: short stacking energy: -36.690
Base-Backbone interact. energy: -0.116
local terms energy: -46.568496
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -11.118
flat angles P-C4'-P energy: -4.481
tors. eta vs tors. theta energy: -9.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -134.521152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.521152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.521152 (E_RNA)
where:
Base-Base interactions energy: -85.536
where: short stacking energy: -29.300
Base-Backbone interact. energy: -0.453
local terms energy: -48.532665
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -10.629
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -6.961
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: 3, replica: 7
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -85.393056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.393056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.393056 (E_RNA)
where:
Base-Base interactions energy: -38.174
where: short stacking energy: -29.447
Base-Backbone interact. energy: -0.001
local terms energy: -47.218417
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -5.863
tors. eta vs tors. theta energy: -7.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -80.676342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.676342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.676342 (E_RNA)
where:
Base-Base interactions energy: -38.609
where: short stacking energy: -29.958
Base-Backbone interact. energy: 3.080
local terms energy: -45.148157
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -7.525
flat angles P-C4'-P energy: -7.728
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: 5, replica: 9
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -78.043485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.043485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.043485 (E_RNA)
where:
Base-Base interactions energy: -33.679
where: short stacking energy: -21.204
Base-Backbone interact. energy: -0.085
local terms energy: -44.280456
where:
bonds (distance) C4'-P energy: -9.980
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -9.406
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -5.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -103.123667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.123667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.123667 (E_RNA)
where:
Base-Base interactions energy: -59.402
where: short stacking energy: -31.309
Base-Backbone interact. energy: -0.000
local terms energy: -43.721615
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -7.619
flat angles C4'-P-C4' energy: -9.340
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: -9.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -69.174563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.174563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.174563 (E_RNA)
where:
Base-Base interactions energy: -25.014
where: short stacking energy: -6.187
Base-Backbone interact. energy: -0.113
local terms energy: -44.047471
where:
bonds (distance) C4'-P energy: -10.326
bonds (distance) P-C4' energy: -10.336
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -8.386
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: 8, replica: 8
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -60.306573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.306573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.306573 (E_RNA)
where:
Base-Base interactions energy: -22.997
where: short stacking energy: -22.042
Base-Backbone interact. energy: 1.588
local terms energy: -38.897438
where:
bonds (distance) C4'-P energy: -7.549
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -4.101
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -8.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -59.477784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.477784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.477784 (E_RNA)
where:
Base-Base interactions energy: -20.253
where: short stacking energy: -15.573
Base-Backbone interact. energy: -0.636
local terms energy: -38.589195
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -9.287
flat angles C4'-P-C4' energy: -8.466
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -2.092
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: 10, replica: 1
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -59.659145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.659145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.659145 (E_RNA)
where:
Base-Base interactions energy: -27.963
where: short stacking energy: -18.067
Base-Backbone interact. energy: 0.071
local terms energy: -31.767957
where:
bonds (distance) C4'-P energy: -8.063
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -6.596
flat angles P-C4'-P energy: -3.954
tors. eta vs tors. theta energy: -1.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -140.385549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.385549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.385549 (E_RNA)
where:
Base-Base interactions energy: -87.261
where: short stacking energy: -37.277
Base-Backbone interact. energy: -0.012
local terms energy: -53.112513
where:
bonds (distance) C4'-P energy: -8.988
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -11.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -136.333974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.333974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.333974 (E_RNA)
where:
Base-Base interactions energy: -89.132
where: short stacking energy: -37.747
Base-Backbone interact. energy: -1.187
local terms energy: -46.014949
where:
bonds (distance) C4'-P energy: -7.019
bonds (distance) P-C4' energy: -10.266
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -10.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -94.732020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.732020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.732020 (E_RNA)
where:
Base-Base interactions energy: -48.581
where: short stacking energy: -35.148
Base-Backbone interact. energy: -0.021
local terms energy: -46.130035
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -10.238
flat angles C4'-P-C4' energy: -9.305
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -9.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -67.290758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.290758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.290758 (E_RNA)
where:
Base-Base interactions energy: -29.915
where: short stacking energy: -22.351
Base-Backbone interact. energy: -0.003
local terms energy: -37.372089
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -10.225
flat angles C4'-P-C4' energy: -8.559
flat angles P-C4'-P energy: -5.360
tors. eta vs tors. theta energy: -3.131
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: 4
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -85.708120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.708120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.708120 (E_RNA)
where:
Base-Base interactions energy: -45.518
where: short stacking energy: -30.005
Base-Backbone interact. energy: -0.149
local terms energy: -40.041501
where:
bonds (distance) C4'-P energy: -6.733
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -7.042
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: 6, replica: 5
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -59.235124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.235124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.235124 (E_RNA)
where:
Base-Base interactions energy: -20.016
where: short stacking energy: -16.106
Base-Backbone interact. energy: -1.150
local terms energy: -38.069205
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -11.141
flat angles P-C4'-P energy: -5.937
tors. eta vs tors. theta energy: 2.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -79.561386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.561386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.561386 (E_RNA)
where:
Base-Base interactions energy: -38.104
where: short stacking energy: -19.647
Base-Backbone interact. energy: -0.005
local terms energy: -41.452621
where:
bonds (distance) C4'-P energy: -6.181
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -3.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -59.186616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.186616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.186616 (E_RNA)
where:
Base-Base interactions energy: -22.275
where: short stacking energy: -8.552
Base-Backbone interact. energy: -0.321
local terms energy: -36.590674
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -8.816
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: 2.153
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: 9, replica: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -69.131737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.131737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.131737 (E_RNA)
where:
Base-Base interactions energy: -27.103
where: short stacking energy: -27.103
Base-Backbone interact. energy: -0.045
local terms energy: -41.982998
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -9.483
flat angles P-C4'-P energy: -4.453
tors. eta vs tors. theta energy: -7.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -54.663928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.663928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.663928 (E_RNA)
where:
Base-Base interactions energy: -17.184
where: short stacking energy: -10.884
Base-Backbone interact. energy: -0.061
local terms energy: -37.418943
where:
bonds (distance) C4'-P energy: -10.041
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -11.071
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: 3.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -133.024590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.024590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.024590 (E_RNA)
where:
Base-Base interactions energy: -77.686
where: short stacking energy: -32.369
Base-Backbone interact. energy: -0.617
local terms energy: -54.721398
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -9.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -121.932777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.932777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.932777 (E_RNA)
where:
Base-Base interactions energy: -67.671
where: short stacking energy: -37.261
Base-Backbone interact. energy: -0.062
local terms energy: -54.199174
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -4.803
tors. eta vs tors. theta energy: -13.219
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: 7
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -100.105864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.105864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.105864 (E_RNA)
where:
Base-Base interactions energy: -54.922
where: short stacking energy: -29.801
Base-Backbone interact. energy: -0.253
local terms energy: -44.931017
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -11.656
flat angles C4'-P-C4' energy: -11.048
flat angles P-C4'-P energy: -5.586
tors. eta vs tors. theta energy: -6.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -82.069699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.069699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.069699 (E_RNA)
where:
Base-Base interactions energy: -31.756
where: short stacking energy: -26.963
Base-Backbone interact. energy: -0.072
local terms energy: -50.241373
where:
bonds (distance) C4'-P energy: -10.131
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -10.700
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -8.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -101.804052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.804052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.804052 (E_RNA)
where:
Base-Base interactions energy: -55.862
where: short stacking energy: -24.945
Base-Backbone interact. energy: -0.259
local terms energy: -45.683271
where:
bonds (distance) C4'-P energy: -9.079
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -9.260
flat angles P-C4'-P energy: -4.171
tors. eta vs tors. theta energy: -10.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -61.959201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.959201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.959201 (E_RNA)
where:
Base-Base interactions energy: -24.768
where: short stacking energy: -22.916
Base-Backbone interact. energy: -0.731
local terms energy: -36.459514
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -10.548
flat angles C4'-P-C4' energy: -2.543
flat angles P-C4'-P energy: -5.591
tors. eta vs tors. theta energy: -7.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -69.202038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.202038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.202038 (E_RNA)
where:
Base-Base interactions energy: -35.490
where: short stacking energy: -8.852
Base-Backbone interact. energy: -0.272
local terms energy: -33.440119
where:
bonds (distance) C4'-P energy: -9.006
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -9.196
flat angles P-C4'-P energy: -5.346
tors. eta vs tors. theta energy: 1.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -61.513254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.513254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.513254 (E_RNA)
where:
Base-Base interactions energy: -28.992
where: short stacking energy: -11.415
Base-Backbone interact. energy: -0.235
local terms energy: -32.286394
where:
bonds (distance) C4'-P energy: -2.507
bonds (distance) P-C4' energy: -13.354
flat angles C4'-P-C4' energy: -8.661
flat angles P-C4'-P energy: -8.105
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: 9, replica: 1
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -52.201124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.201124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.201124 (E_RNA)
where:
Base-Base interactions energy: -19.808
where: short stacking energy: -10.234
Base-Backbone interact. energy: 0.401
local terms energy: -32.794405
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -8.064
flat angles P-C4'-P energy: -2.727
tors. eta vs tors. theta energy: 2.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -58.239470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.239470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.239470 (E_RNA)
where:
Base-Base interactions energy: -19.480
where: short stacking energy: -18.820
Base-Backbone interact. energy: -0.006
local terms energy: -38.753264
where:
bonds (distance) C4'-P energy: -8.944
bonds (distance) P-C4' energy: -7.399
flat angles C4'-P-C4' energy: -9.508
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -4.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -128.891963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.891963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.891963 (E_RNA)
where:
Base-Base interactions energy: -85.628
where: short stacking energy: -25.904
Base-Backbone interact. energy: 0.289
local terms energy: -43.552689
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -8.758
flat angles P-C4'-P energy: -6.113
tors. eta vs tors. theta energy: -5.362
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: 7
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -105.117509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.117509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.117509 (E_RNA)
where:
Base-Base interactions energy: -62.813
where: short stacking energy: -33.947
Base-Backbone interact. energy: -0.085
local terms energy: -42.218818
where:
bonds (distance) C4'-P energy: -8.389
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -7.094
flat angles P-C4'-P energy: -6.816
tors. eta vs tors. theta energy: -7.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -109.896128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.896128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.896128 (E_RNA)
where:
Base-Base interactions energy: -57.222
where: short stacking energy: -30.021
Base-Backbone interact. energy: -0.009
local terms energy: -52.665175
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -8.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -87.633081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.633081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.633081 (E_RNA)
where:
Base-Base interactions energy: -37.151
where: short stacking energy: -36.058
Base-Backbone interact. energy: -0.006
local terms energy: -50.476340
where:
bonds (distance) C4'-P energy: -8.021
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -10.086
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -11.701
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: 81
Temperature: 1.100000
Total energy: -97.581484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.581484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.581484 (E_RNA)
where:
Base-Base interactions energy: -50.116
where: short stacking energy: -21.336
Base-Backbone interact. energy: -0.208
local terms energy: -47.257112
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -5.090
tors. eta vs tors. theta energy: -5.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -77.410823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.410823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.410823 (E_RNA)
where:
Base-Base interactions energy: -33.422
where: short stacking energy: -30.530
Base-Backbone interact. energy: -0.125
local terms energy: -43.863500
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -1.960
tors. eta vs tors. theta energy: -7.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -71.573215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.573215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.573215 (E_RNA)
where:
Base-Base interactions energy: -29.073
where: short stacking energy: -21.395
Base-Backbone interact. energy: -0.081
local terms energy: -42.419127
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -11.331
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -5.561
tors. eta vs tors. theta energy: -1.914
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: 8, replica: 1
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -60.227677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.227677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.227677 (E_RNA)
where:
Base-Base interactions energy: -23.686
where: short stacking energy: -16.140
Base-Backbone interact. energy: -0.176
local terms energy: -36.365415
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -9.975
flat angles C4'-P-C4' energy: -9.197
flat angles P-C4'-P energy: -6.846
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: 9, replica: 3
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -54.619731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.619731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.619731 (E_RNA)
where:
Base-Base interactions energy: -15.452
where: short stacking energy: -12.636
Base-Backbone interact. energy: -0.017
local terms energy: -39.150758
where:
bonds (distance) C4'-P energy: -10.815
bonds (distance) P-C4' energy: -8.235
flat angles C4'-P-C4' energy: -10.387
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -1.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -63.109614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.109614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.109614 (E_RNA)
where:
Base-Base interactions energy: -36.035
where: short stacking energy: -10.374
Base-Backbone interact. energy: 1.986
local terms energy: -29.060851
where:
bonds (distance) C4'-P energy: -8.376
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -2.592
flat angles P-C4'-P energy: -6.078
tors. eta vs tors. theta energy: -1.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -131.199943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.199943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.199943 (E_RNA)
where:
Base-Base interactions energy: -86.581
where: short stacking energy: -33.258
Base-Backbone interact. energy: -0.142
local terms energy: -44.477335
where:
bonds (distance) C4'-P energy: -9.026
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: 0.104
tors. eta vs tors. theta energy: -8.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -101.985766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.985766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.985766 (E_RNA)
where:
Base-Base interactions energy: -54.877
where: short stacking energy: -25.980
Base-Backbone interact. energy: -1.165
local terms energy: -45.943106
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: -4.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -110.816958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.816958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.816958 (E_RNA)
where:
Base-Base interactions energy: -63.123
where: short stacking energy: -33.634
Base-Backbone interact. energy: -0.001
local terms energy: -47.693403
where:
bonds (distance) C4'-P energy: -7.884
bonds (distance) P-C4' energy: -10.000
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -9.415
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: 4, replica: 9
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -80.099639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.099639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.099639 (E_RNA)
where:
Base-Base interactions energy: -38.517
where: short stacking energy: -24.267
Base-Backbone interact. energy: -0.214
local terms energy: -41.368637
where:
bonds (distance) C4'-P energy: -9.578
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -9.194
flat angles P-C4'-P energy: -8.813
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: 5, replica: 4
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -85.173045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.173045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.173045 (E_RNA)
where:
Base-Base interactions energy: -46.879
where: short stacking energy: -22.555
Base-Backbone interact. energy: -1.256
local terms energy: -37.037558
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -8.485
flat angles C4'-P-C4' energy: -6.100
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -4.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -67.998894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.998894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.998894 (E_RNA)
where:
Base-Base interactions energy: -41.092
where: short stacking energy: -20.957
Base-Backbone interact. energy: -0.004
local terms energy: -26.902969
where:
bonds (distance) C4'-P energy: -5.835
bonds (distance) P-C4' energy: -8.744
flat angles C4'-P-C4' energy: -4.388
flat angles P-C4'-P energy: -3.888
tors. eta vs tors. theta energy: -4.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -79.591464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.591464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.591464 (E_RNA)
where:
Base-Base interactions energy: -45.350
where: short stacking energy: -20.808
Base-Backbone interact. energy: -0.073
local terms energy: -34.167972
where:
bonds (distance) C4'-P energy: -8.810
bonds (distance) P-C4' energy: -9.597
flat angles C4'-P-C4' energy: -10.329
flat angles P-C4'-P energy: -2.717
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: 1
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -62.850927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.850927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.850927 (E_RNA)
where:
Base-Base interactions energy: -22.987
where: short stacking energy: -22.442
Base-Backbone interact. energy: -0.070
local terms energy: -39.793141
where:
bonds (distance) C4'-P energy: -7.342
bonds (distance) P-C4' energy: -9.989
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -3.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -55.424228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.424228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.424228 (E_RNA)
where:
Base-Base interactions energy: -23.239
where: short stacking energy: -8.111
Base-Backbone interact. energy: -0.093
local terms energy: -32.092550
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -8.058
flat angles P-C4'-P energy: -5.885
tors. eta vs tors. theta energy: 4.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -75.755403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.755403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.755403 (E_RNA)
where:
Base-Base interactions energy: -39.863
where: short stacking energy: -14.843
Base-Backbone interact. energy: 0.179
local terms energy: -36.071248
where:
bonds (distance) C4'-P energy: -7.002
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -9.657
flat angles P-C4'-P energy: -5.585
tors. eta vs tors. theta energy: -2.588
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: 83
Temperature: 0.900000
Total energy: -135.672342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.672342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.672342 (E_RNA)
where:
Base-Base interactions energy: -87.500
where: short stacking energy: -34.182
Base-Backbone interact. energy: 0.285
local terms energy: -48.457059
where:
bonds (distance) C4'-P energy: -8.120
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -11.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -99.840298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.840298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.840298 (E_RNA)
where:
Base-Base interactions energy: -53.410
where: short stacking energy: -16.337
Base-Backbone interact. energy: -0.291
local terms energy: -46.139367
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -11.529
flat angles C4'-P-C4' energy: -10.265
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -3.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -83.456167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.456167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.456167 (E_RNA)
where:
Base-Base interactions energy: -44.830
where: short stacking energy: -38.547
Base-Backbone interact. energy: -0.000
local terms energy: -38.625882
where:
bonds (distance) C4'-P energy: -7.710
bonds (distance) P-C4' energy: -6.865
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -5.427
tors. eta vs tors. theta energy: -8.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -88.182591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.182591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.182591 (E_RNA)
where:
Base-Base interactions energy: -47.664
where: short stacking energy: -26.486
Base-Backbone interact. energy: -0.103
local terms energy: -40.414725
where:
bonds (distance) C4'-P energy: -9.386
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -5.038
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -6.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -94.619781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.619781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.619781 (E_RNA)
where:
Base-Base interactions energy: -39.177
where: short stacking energy: -28.316
Base-Backbone interact. energy: 0.463
local terms energy: -55.906132
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -9.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -79.587296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.587296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.587296 (E_RNA)
where:
Base-Base interactions energy: -32.510
where: short stacking energy: -19.842
Base-Backbone interact. energy: -0.538
local terms energy: -46.539912
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -8.507
flat angles P-C4'-P energy: -9.679
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: 7, replica: 6
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -62.805267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.805267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.805267 (E_RNA)
where:
Base-Base interactions energy: -32.155
where: short stacking energy: -17.281
Base-Backbone interact. energy: -0.020
local terms energy: -30.630414
where:
bonds (distance) C4'-P energy: -8.948
bonds (distance) P-C4' energy: -9.912
flat angles C4'-P-C4' energy: -3.457
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -0.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -56.665010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.665010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.665010 (E_RNA)
where:
Base-Base interactions energy: -29.754
where: short stacking energy: -8.347
Base-Backbone interact. energy: -1.238
local terms energy: -25.672793
where:
bonds (distance) C4'-P energy: -5.707
bonds (distance) P-C4' energy: -8.838
flat angles C4'-P-C4' energy: -6.810
flat angles P-C4'-P energy: -5.966
tors. eta vs tors. theta energy: 1.648
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: 1
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -76.510587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.510587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.510587 (E_RNA)
where:
Base-Base interactions energy: -36.195
where: short stacking energy: -16.409
Base-Backbone interact. energy: -0.102
local terms energy: -40.213680
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -8.981
flat angles P-C4'-P energy: -5.853
tors. eta vs tors. theta energy: -0.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -61.092656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.092656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.092656 (E_RNA)
where:
Base-Base interactions energy: -24.779
where: short stacking energy: -15.503
Base-Backbone interact. energy: -0.666
local terms energy: -35.647195
where:
bonds (distance) C4'-P energy: -9.304
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -4.224
tors. eta vs tors. theta energy: -0.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -137.806160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.806160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.806160 (E_RNA)
where:
Base-Base interactions energy: -87.681
where: short stacking energy: -37.643
Base-Backbone interact. energy: -1.016
local terms energy: -49.109305
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -10.044
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -10.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -78.779584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.779584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.779584 (E_RNA)
where:
Base-Base interactions energy: -33.772
where: short stacking energy: -20.951
Base-Backbone interact. energy: -0.028
local terms energy: -44.979858
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -1.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -87.712242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.712242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.712242 (E_RNA)
where:
Base-Base interactions energy: -35.284
where: short stacking energy: -23.776
Base-Backbone interact. energy: -0.382
local terms energy: -52.046178
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -9.562
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -8.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -67.311755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.311755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.311755 (E_RNA)
where:
Base-Base interactions energy: -24.080
where: short stacking energy: -24.280
Base-Backbone interact. energy: -0.011
local terms energy: -43.220587
where:
bonds (distance) C4'-P energy: -9.043
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -8.941
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -6.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -94.036912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.036912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.036912 (E_RNA)
where:
Base-Base interactions energy: -50.039
where: short stacking energy: -32.653
Base-Backbone interact. energy: 0.307
local terms energy: -44.304513
where:
bonds (distance) C4'-P energy: -4.957
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -9.489
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -8.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -72.649253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.649253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.649253 (E_RNA)
where:
Base-Base interactions energy: -28.196
where: short stacking energy: -28.196
Base-Backbone interact. energy: -0.029
local terms energy: -44.425125
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -9.822
flat angles P-C4'-P energy: -5.101
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: 7, replica: 8
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -69.559584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.559584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.559584 (E_RNA)
where:
Base-Base interactions energy: -28.364
where: short stacking energy: -25.554
Base-Backbone interact. energy: -0.077
local terms energy: -41.118865
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -9.672
flat angles C4'-P-C4' energy: -9.789
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -1.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -70.767710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.767710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.767710 (E_RNA)
where:
Base-Base interactions energy: -37.339
where: short stacking energy: -14.535
Base-Backbone interact. energy: -0.014
local terms energy: -33.415066
where:
bonds (distance) C4'-P energy: -4.614
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -9.707
flat angles P-C4'-P energy: -2.275
tors. eta vs tors. theta energy: -4.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -57.769912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.769912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.769912 (E_RNA)
where:
Base-Base interactions energy: -24.009
where: short stacking energy: -14.669
Base-Backbone interact. energy: -0.120
local terms energy: -33.640407
where:
bonds (distance) C4'-P energy: -8.332
bonds (distance) P-C4' energy: -8.849
flat angles C4'-P-C4' energy: -6.763
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -2.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -61.029889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.029889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.029889 (E_RNA)
where:
Base-Base interactions energy: -17.924
where: short stacking energy: -5.896
Base-Backbone interact. energy: -0.002
local terms energy: -43.103958
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -10.724
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: 0.351
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: 10
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -124.213117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.213117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.213117 (E_RNA)
where:
Base-Base interactions energy: -80.353
where: short stacking energy: -34.041
Base-Backbone interact. energy: -0.283
local terms energy: -43.576921
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -9.805
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -3.273
tors. eta vs tors. theta energy: -6.758
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: 4
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -115.606519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.606519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.606519 (E_RNA)
where:
Base-Base interactions energy: -73.347
where: short stacking energy: -30.511
Base-Backbone interact. energy: -0.233
local terms energy: -42.026452
where:
bonds (distance) C4'-P energy: -9.246
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -8.614
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: -5.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -82.977556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.977556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.977556 (E_RNA)
where:
Base-Base interactions energy: -32.560
where: short stacking energy: -22.595
Base-Backbone interact. energy: -0.036
local terms energy: -50.381309
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -11.980
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -5.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -96.880258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.880258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.880258 (E_RNA)
where:
Base-Base interactions energy: -51.219
where: short stacking energy: -23.802
Base-Backbone interact. energy: -0.229
local terms energy: -45.431998
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -7.558
flat angles P-C4'-P energy: -8.007
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: 5, replica: 7
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -71.025030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.025030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.025030 (E_RNA)
where:
Base-Base interactions energy: -25.433
where: short stacking energy: -17.923
Base-Backbone interact. energy: -0.128
local terms energy: -45.464136
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -11.781
flat angles C4'-P-C4' energy: -7.725
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -5.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -71.478250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.478250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.478250 (E_RNA)
where:
Base-Base interactions energy: -33.316
where: short stacking energy: -17.404
Base-Backbone interact. energy: -0.612
local terms energy: -37.550266
where:
bonds (distance) C4'-P energy: -10.860
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: 2.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -60.815089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.815089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.815089 (E_RNA)
where:
Base-Base interactions energy: -21.495
where: short stacking energy: -21.495
Base-Backbone interact. energy: 0.573
local terms energy: -39.893102
where:
bonds (distance) C4'-P energy: -6.248
bonds (distance) P-C4' energy: -9.711
flat angles C4'-P-C4' energy: -10.715
flat angles P-C4'-P energy: -7.960
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: 8, replica: 3
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -70.360813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.360813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.360813 (E_RNA)
where:
Base-Base interactions energy: -36.004
where: short stacking energy: -21.002
Base-Backbone interact. energy: 0.216
local terms energy: -34.573551
where:
bonds (distance) C4'-P energy: -5.594
bonds (distance) P-C4' energy: -7.524
flat angles C4'-P-C4' energy: -9.471
flat angles P-C4'-P energy: -9.454
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: 9, replica: 6
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -53.007478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.007478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.007478 (E_RNA)
where:
Base-Base interactions energy: -21.059
where: short stacking energy: -6.174
Base-Backbone interact. energy: -0.300
local terms energy: -31.648309
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -9.469
flat angles C4'-P-C4' energy: -9.862
flat angles P-C4'-P energy: -4.187
tors. eta vs tors. theta energy: 2.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -48.365346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.365346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.365346 (E_RNA)
where:
Base-Base interactions energy: -11.021
where: short stacking energy: -11.021
Base-Backbone interact. energy: -0.052
local terms energy: -37.292714
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -4.461
flat angles P-C4'-P energy: -3.251
tors. eta vs tors. theta energy: -4.437
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: 86
Temperature: 0.900000
Total energy: -125.616618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.616618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.616618 (E_RNA)
where:
Base-Base interactions energy: -78.538
where: short stacking energy: -33.520
Base-Backbone interact. energy: 0.614
local terms energy: -47.691750
where:
bonds (distance) C4'-P energy: -9.590
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -5.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -114.425464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.425464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.425464 (E_RNA)
where:
Base-Base interactions energy: -72.547
where: short stacking energy: -32.128
Base-Backbone interact. energy: -0.199
local terms energy: -41.678694
where:
bonds (distance) C4'-P energy: -9.069
bonds (distance) P-C4' energy: -10.701
flat angles C4'-P-C4' energy: -9.173
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -5.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -100.682932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.682932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.682932 (E_RNA)
where:
Base-Base interactions energy: -50.380
where: short stacking energy: -22.439
Base-Backbone interact. energy: -0.807
local terms energy: -49.496217
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -6.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -73.224050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.224050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.224050 (E_RNA)
where:
Base-Base interactions energy: -34.128
where: short stacking energy: -16.627
Base-Backbone interact. energy: -0.006
local terms energy: -39.089860
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -10.799
flat angles C4'-P-C4' energy: -10.198
flat angles P-C4'-P energy: -2.284
tors. eta vs tors. theta energy: -3.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -80.842609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.842609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.842609 (E_RNA)
where:
Base-Base interactions energy: -38.315
where: short stacking energy: -28.560
Base-Backbone interact. energy: 0.465
local terms energy: -42.992882
where:
bonds (distance) C4'-P energy: -8.546
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -10.795
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -4.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -89.686804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.686804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.686804 (E_RNA)
where:
Base-Base interactions energy: -53.789
where: short stacking energy: -35.211
Base-Backbone interact. energy: 1.102
local terms energy: -36.999913
where:
bonds (distance) C4'-P energy: -7.827
bonds (distance) P-C4' energy: -9.305
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -3.113
tors. eta vs tors. theta energy: -5.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -68.917390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.917390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.917390 (E_RNA)
where:
Base-Base interactions energy: -26.503
where: short stacking energy: -21.995
Base-Backbone interact. energy: -0.390
local terms energy: -42.024128
where:
bonds (distance) C4'-P energy: -9.788
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -6.474
flat angles P-C4'-P energy: -6.478
tors. eta vs tors. theta energy: -7.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -64.529927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.529927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.529927 (E_RNA)
where:
Base-Base interactions energy: -24.949
where: short stacking energy: -11.906
Base-Backbone interact. energy: -0.036
local terms energy: -39.545002
where:
bonds (distance) C4'-P energy: -7.027
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -2.808
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: 1
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -54.077665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.077665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.077665 (E_RNA)
where:
Base-Base interactions energy: -13.283
where: short stacking energy: -13.283
Base-Backbone interact. energy: -0.066
local terms energy: -40.729050
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -10.129
flat angles C4'-P-C4' energy: -8.583
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -1.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -57.416815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.416815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.416815 (E_RNA)
where:
Base-Base interactions energy: -15.647
where: short stacking energy: -15.647
Base-Backbone interact. energy: -0.755
local terms energy: -41.014447
where:
bonds (distance) C4'-P energy: -9.329
bonds (distance) P-C4' energy: -10.585
flat angles C4'-P-C4' energy: -8.261
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -3.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -131.413584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.413584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.413584 (E_RNA)
where:
Base-Base interactions energy: -85.901
where: short stacking energy: -33.088
Base-Backbone interact. energy: -0.465
local terms energy: -45.047765
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -11.800
flat angles C4'-P-C4' energy: -10.479
flat angles P-C4'-P energy: -2.276
tors. eta vs tors. theta energy: -7.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -109.245305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.245305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.245305 (E_RNA)
where:
Base-Base interactions energy: -60.631
where: short stacking energy: -30.775
Base-Backbone interact. energy: -0.009
local terms energy: -48.605531
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -10.982
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -6.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -93.932471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.932471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.932471 (E_RNA)
where:
Base-Base interactions energy: -48.042
where: short stacking energy: -26.410
Base-Backbone interact. energy: -0.115
local terms energy: -45.775459
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -9.577
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -6.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -85.551034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.551034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.551034 (E_RNA)
where:
Base-Base interactions energy: -36.643
where: short stacking energy: -25.665
Base-Backbone interact. energy: -0.503
local terms energy: -48.405592
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -10.283
flat angles P-C4'-P energy: -6.482
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: 5, replica: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -72.924226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.924226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.924226 (E_RNA)
where:
Base-Base interactions energy: -29.598
where: short stacking energy: -28.875
Base-Backbone interact. energy: -0.130
local terms energy: -43.195817
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -8.665
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -6.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -74.370734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.370734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.370734 (E_RNA)
where:
Base-Base interactions energy: -27.576
where: short stacking energy: -24.587
Base-Backbone interact. energy: -0.010
local terms energy: -46.785268
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -8.561
flat angles P-C4'-P energy: -5.677
tors. eta vs tors. theta energy: -7.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -65.695425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.695425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.695425 (E_RNA)
where:
Base-Base interactions energy: -21.856
where: short stacking energy: -21.856
Base-Backbone interact. energy: -0.001
local terms energy: -43.838737
where:
bonds (distance) C4'-P energy: -9.936
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -7.698
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -6.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -53.138881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.138881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.138881 (E_RNA)
where:
Base-Base interactions energy: -15.431
where: short stacking energy: -15.431
Base-Backbone interact. energy: -0.117
local terms energy: -37.590338
where:
bonds (distance) C4'-P energy: -9.133
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -8.715
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -1.036
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: 9, replica: 1
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -62.804109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.804109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.804109 (E_RNA)
where:
Base-Base interactions energy: -30.357
where: short stacking energy: -21.153
Base-Backbone interact. energy: -1.228
local terms energy: -31.219127
where:
bonds (distance) C4'-P energy: -9.159
bonds (distance) P-C4' energy: -8.515
flat angles C4'-P-C4' energy: -9.319
flat angles P-C4'-P energy: -6.141
tors. eta vs tors. theta energy: 1.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -56.072964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.072964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.072964 (E_RNA)
where:
Base-Base interactions energy: -17.277
where: short stacking energy: -11.498
Base-Backbone interact. energy: -0.074
local terms energy: -38.721959
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -5.447
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -1.151
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: 5
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -112.960847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.960847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.960847 (E_RNA)
where:
Base-Base interactions energy: -60.814
where: short stacking energy: -38.836
Base-Backbone interact. energy: -1.771
local terms energy: -50.376745
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -9.836
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -8.850
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: 88
Temperature: 0.950000
Total energy: -129.170041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.170041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.170041 (E_RNA)
where:
Base-Base interactions energy: -85.962
where: short stacking energy: -29.664
Base-Backbone interact. energy: -1.183
local terms energy: -42.024473
where:
bonds (distance) C4'-P energy: -7.934
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -9.942
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: -5.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -92.200177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.200177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.200177 (E_RNA)
where:
Base-Base interactions energy: -45.514
where: short stacking energy: -30.366
Base-Backbone interact. energy: -0.009
local terms energy: -46.676750
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -9.613
flat angles C4'-P-C4' energy: -9.374
flat angles P-C4'-P energy: -7.241
tors. eta vs tors. theta energy: -8.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -73.983831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.983831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.983831 (E_RNA)
where:
Base-Base interactions energy: -33.222
where: short stacking energy: -20.188
Base-Backbone interact. energy: 0.214
local terms energy: -40.975865
where:
bonds (distance) C4'-P energy: -9.516
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -10.071
flat angles P-C4'-P energy: -4.683
tors. eta vs tors. theta energy: -3.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -75.190649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.190649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.190649 (E_RNA)
where:
Base-Base interactions energy: -32.645
where: short stacking energy: -22.284
Base-Backbone interact. energy: -0.072
local terms energy: -42.473592
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -8.175
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -4.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -77.608523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.608523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.608523 (E_RNA)
where:
Base-Base interactions energy: -40.359
where: short stacking energy: -22.633
Base-Backbone interact. energy: -0.024
local terms energy: -37.225811
where:
bonds (distance) C4'-P energy: -9.374
bonds (distance) P-C4' energy: -10.475
flat angles C4'-P-C4' energy: -9.126
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: -1.964
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: 7, replica: 3
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -65.144001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.144001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.144001 (E_RNA)
where:
Base-Base interactions energy: -25.873
where: short stacking energy: -18.902
Base-Backbone interact. energy: -0.515
local terms energy: -38.756754
where:
bonds (distance) C4'-P energy: -8.464
bonds (distance) P-C4' energy: -10.442
flat angles C4'-P-C4' energy: -6.447
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -5.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -59.930531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.930531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.930531 (E_RNA)
where:
Base-Base interactions energy: -25.376
where: short stacking energy: -18.128
Base-Backbone interact. energy: -0.125
local terms energy: -34.429213
where:
bonds (distance) C4'-P energy: -9.275
bonds (distance) P-C4' energy: -10.125
flat angles C4'-P-C4' energy: -7.821
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -0.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -59.219494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.219494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.219494 (E_RNA)
where:
Base-Base interactions energy: -20.333
where: short stacking energy: -16.732
Base-Backbone interact. energy: 0.119
local terms energy: -39.005708
where:
bonds (distance) C4'-P energy: -9.515
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -9.343
flat angles P-C4'-P energy: -6.651
tors. eta vs tors. theta energy: -1.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -55.203151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.203151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.203151 (E_RNA)
where:
Base-Base interactions energy: -18.847
where: short stacking energy: -9.737
Base-Backbone interact. energy: -0.137
local terms energy: -36.218661
where:
bonds (distance) C4'-P energy: -9.326
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -10.545
flat angles P-C4'-P energy: -5.927
tors. eta vs tors. theta energy: 1.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -117.519458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.519458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.519458 (E_RNA)
where:
Base-Base interactions energy: -64.382
where: short stacking energy: -30.960
Base-Backbone interact. energy: -0.109
local terms energy: -53.028018
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -5.244
tors. eta vs tors. theta energy: -10.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -106.600457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.600457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.600457 (E_RNA)
where:
Base-Base interactions energy: -63.841
where: short stacking energy: -32.913
Base-Backbone interact. energy: -0.069
local terms energy: -42.690678
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -7.717
flat angles P-C4'-P energy: -5.865
tors. eta vs tors. theta energy: -7.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -128.282088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.282088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.282088 (E_RNA)
where:
Base-Base interactions energy: -85.770
where: short stacking energy: -29.640
Base-Backbone interact. energy: -0.130
local terms energy: -42.381498
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -9.866
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -5.216
tors. eta vs tors. theta energy: -6.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -74.130104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.130104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.130104 (E_RNA)
where:
Base-Base interactions energy: -33.220
where: short stacking energy: -23.425
Base-Backbone interact. energy: 0.630
local terms energy: -41.539974
where:
bonds (distance) C4'-P energy: -8.703
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -2.228
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: 89
Temperature: 1.100000
Total energy: -88.808096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.808096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.808096 (E_RNA)
where:
Base-Base interactions energy: -49.976
where: short stacking energy: -31.075
Base-Backbone interact. energy: -0.010
local terms energy: -38.822490
where:
bonds (distance) C4'-P energy: -5.848
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -10.166
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -5.192
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: 6, replica: 3
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -68.770120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.770120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.770120 (E_RNA)
where:
Base-Base interactions energy: -26.621
where: short stacking energy: -16.465
Base-Backbone interact. energy: -0.101
local terms energy: -42.048273
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -9.037
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -2.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -67.418045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.418045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.418045 (E_RNA)
where:
Base-Base interactions energy: -29.798
where: short stacking energy: -15.108
Base-Backbone interact. energy: -0.158
local terms energy: -37.461265
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -8.803
flat angles C4'-P-C4' energy: -8.930
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -0.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -69.639639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.639639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.639639 (E_RNA)
where:
Base-Base interactions energy: -26.587
where: short stacking energy: -23.987
Base-Backbone interact. energy: 0.589
local terms energy: -43.640833
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -9.385
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -4.693
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: 9, replica: 6
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -56.965745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.965745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.965745 (E_RNA)
where:
Base-Base interactions energy: -18.977
where: short stacking energy: -18.312
Base-Backbone interact. energy: -0.161
local terms energy: -37.827656
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -10.025
flat angles P-C4'-P energy: -5.753
tors. eta vs tors. theta energy: -1.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -53.963192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.963192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.963192 (E_RNA)
where:
Base-Base interactions energy: -18.886
where: short stacking energy: -12.872
Base-Backbone interact. energy: -0.084
local terms energy: -34.993659
where:
bonds (distance) C4'-P energy: -9.188
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -6.948
flat angles P-C4'-P energy: -4.215
tors. eta vs tors. theta energy: -4.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -122.054441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.054441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.054441 (E_RNA)
where:
Base-Base interactions energy: -73.331
where: short stacking energy: -31.584
Base-Backbone interact. energy: -0.369
local terms energy: -48.355003
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: -4.794
tors. eta vs tors. theta energy: -9.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -106.479880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.479880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.479880 (E_RNA)
where:
Base-Base interactions energy: -59.784
where: short stacking energy: -33.710
Base-Backbone interact. energy: 0.054
local terms energy: -46.749562
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -9.757
flat angles P-C4'-P energy: -1.321
tors. eta vs tors. theta energy: -11.556
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: 3, replica: 10
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -122.687190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.687190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.687190 (E_RNA)
where:
Base-Base interactions energy: -81.208
where: short stacking energy: -37.478
Base-Backbone interact. energy: -0.493
local terms energy: -40.986848
where:
bonds (distance) C4'-P energy: -9.752
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -7.087
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -3.741
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: 2
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -94.473651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.473651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.473651 (E_RNA)
where:
Base-Base interactions energy: -53.387
where: short stacking energy: -39.218
Base-Backbone interact. energy: -0.002
local terms energy: -41.083758
where:
bonds (distance) C4'-P energy: -9.677
bonds (distance) P-C4' energy: -5.231
flat angles C4'-P-C4' energy: -10.274
flat angles P-C4'-P energy: -7.033
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: 5, replica: 3
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -69.719351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.719351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.719351 (E_RNA)
where:
Base-Base interactions energy: -27.850
where: short stacking energy: -27.850
Base-Backbone interact. energy: -0.020
local terms energy: -41.849688
where:
bonds (distance) C4'-P energy: -9.243
bonds (distance) P-C4' energy: -7.965
flat angles C4'-P-C4' energy: -9.210
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: -9.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -80.486840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.486840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.486840 (E_RNA)
where:
Base-Base interactions energy: -37.073
where: short stacking energy: -27.839
Base-Backbone interact. energy: -0.038
local terms energy: -43.376602
where:
bonds (distance) C4'-P energy: -6.833
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -9.410
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -6.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -83.497183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.497183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.497183 (E_RNA)
where:
Base-Base interactions energy: -53.881
where: short stacking energy: -23.168
Base-Backbone interact. energy: -0.056
local terms energy: -29.560432
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -7.878
flat angles C4'-P-C4' energy: -7.850
flat angles P-C4'-P energy: -3.172
tors. eta vs tors. theta energy: -0.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -64.806285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.806285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.806285 (E_RNA)
where:
Base-Base interactions energy: -36.264
where: short stacking energy: -10.630
Base-Backbone interact. energy: -0.246
local terms energy: -28.296974
where:
bonds (distance) C4'-P energy: -7.954
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -8.430
flat angles P-C4'-P energy: -4.244
tors. eta vs tors. theta energy: 3.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -54.766871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.766871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.766871 (E_RNA)
where:
Base-Base interactions energy: -21.964
where: short stacking energy: -20.850
Base-Backbone interact. energy: -0.164
local terms energy: -32.639198
where:
bonds (distance) C4'-P energy: -7.541
bonds (distance) P-C4' energy: -7.900
flat angles C4'-P-C4' energy: -9.767
flat angles P-C4'-P energy: -6.663
tors. eta vs tors. theta energy: -0.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -48.803456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.803456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.803456 (E_RNA)
where:
Base-Base interactions energy: -10.651
where: short stacking energy: -10.098
Base-Backbone interact. energy: -0.115
local terms energy: -38.037691
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -9.143
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: 2.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -127.295977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.295977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.295977 (E_RNA)
where:
Base-Base interactions energy: -79.538
where: short stacking energy: -37.020
Base-Backbone interact. energy: -0.099
local terms energy: -47.659049
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -10.024
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -7.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -136.779841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.779841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.779841 (E_RNA)
where:
Base-Base interactions energy: -87.695
where: short stacking energy: -38.804
Base-Backbone interact. energy: 0.389
local terms energy: -49.473299
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -5.187
tors. eta vs tors. theta energy: -10.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -103.960562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.960562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.960562 (E_RNA)
where:
Base-Base interactions energy: -58.562
where: short stacking energy: -33.824
Base-Backbone interact. energy: -0.022
local terms energy: -45.376804
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -9.365
flat angles P-C4'-P energy: -0.885
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: 4, replica: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -81.450531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.450531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.450531 (E_RNA)
where:
Base-Base interactions energy: -35.862
where: short stacking energy: -25.255
Base-Backbone interact. energy: -0.005
local terms energy: -45.583617
where:
bonds (distance) C4'-P energy: -8.861
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -6.608
tors. eta vs tors. theta energy: -6.886
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: 2
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -75.309724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.309724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.309724 (E_RNA)
where:
Base-Base interactions energy: -25.680
where: short stacking energy: -23.929
Base-Backbone interact. energy: -0.795
local terms energy: -48.835320
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -7.990
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: 6, replica: 9
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -75.211495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.211495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.211495 (E_RNA)
where:
Base-Base interactions energy: -38.850
where: short stacking energy: -25.581
Base-Backbone interact. energy: 0.048
local terms energy: -36.409508
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -8.309
flat angles C4'-P-C4' energy: -8.986
flat angles P-C4'-P energy: -3.452
tors. eta vs tors. theta energy: -4.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -67.630838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.630838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.630838 (E_RNA)
where:
Base-Base interactions energy: -33.104
where: short stacking energy: -12.522
Base-Backbone interact. energy: 0.194
local terms energy: -34.720887
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -10.574
flat angles C4'-P-C4' energy: -6.704
flat angles P-C4'-P energy: -4.347
tors. eta vs tors. theta energy: -1.851
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: 1
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -60.253645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.253645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.253645 (E_RNA)
where:
Base-Base interactions energy: -22.589
where: short stacking energy: -15.773
Base-Backbone interact. energy: -0.191
local terms energy: -37.473575
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -7.546
flat angles P-C4'-P energy: -7.885
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: 7
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -50.943935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.943935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.943935 (E_RNA)
where:
Base-Base interactions energy: -17.457
where: short stacking energy: -14.611
Base-Backbone interact. energy: 0.883
local terms energy: -34.370000
where:
bonds (distance) C4'-P energy: -9.982
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -8.802
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: 1.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -54.968553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.968553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.968553 (E_RNA)
where:
Base-Base interactions energy: -21.269
where: short stacking energy: -13.637
Base-Backbone interact. energy: -0.339
local terms energy: -33.360476
where:
bonds (distance) C4'-P energy: -10.504
bonds (distance) P-C4' energy: -10.057
flat angles C4'-P-C4' energy: -6.828
flat angles P-C4'-P energy: -8.819
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: 1, replica: 10
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -139.787391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.787391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.787391 (E_RNA)
where:
Base-Base interactions energy: -91.866
where: short stacking energy: -31.563
Base-Backbone interact. energy: 1.671
local terms energy: -49.591434
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -10.969
flat angles C4'-P-C4' energy: -9.920
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -10.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -127.387294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.387294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.387294 (E_RNA)
where:
Base-Base interactions energy: -74.863
where: short stacking energy: -32.703
Base-Backbone interact. energy: -0.859
local terms energy: -51.665657
where:
bonds (distance) C4'-P energy: -8.446
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -10.332
flat angles P-C4'-P energy: -9.566
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: 3, replica: 8
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -115.449341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.449341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.449341 (E_RNA)
where:
Base-Base interactions energy: -76.626
where: short stacking energy: -26.127
Base-Backbone interact. energy: -0.260
local terms energy: -38.562904
where:
bonds (distance) C4'-P energy: -10.060
bonds (distance) P-C4' energy: -9.917
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: -3.589
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: 4, replica: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -73.456737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.456737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.456737 (E_RNA)
where:
Base-Base interactions energy: -27.113
where: short stacking energy: -23.413
Base-Backbone interact. energy: -0.045
local terms energy: -46.299304
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -3.991
tors. eta vs tors. theta energy: -7.028
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: 2
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -85.425039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.425039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.425039 (E_RNA)
where:
Base-Base interactions energy: -44.468
where: short stacking energy: -32.928
Base-Backbone interact. energy: -0.127
local terms energy: -40.829389
where:
bonds (distance) C4'-P energy: -7.524
bonds (distance) P-C4' energy: -9.849
flat angles C4'-P-C4' energy: -6.488
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -9.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -88.000842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.000842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.000842 (E_RNA)
where:
Base-Base interactions energy: -46.218
where: short stacking energy: -15.616
Base-Backbone interact. energy: -0.161
local terms energy: -41.620931
where:
bonds (distance) C4'-P energy: -9.706
bonds (distance) P-C4' energy: -9.849
flat angles C4'-P-C4' energy: -8.765
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -3.643
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: 7, replica: 1
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -74.394176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.394176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.394176 (E_RNA)
where:
Base-Base interactions energy: -34.496
where: short stacking energy: -26.154
Base-Backbone interact. energy: -0.905
local terms energy: -38.992766
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -8.586
flat angles C4'-P-C4' energy: -10.430
flat angles P-C4'-P energy: -4.734
tors. eta vs tors. theta energy: -4.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -57.674344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.674344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.674344 (E_RNA)
where:
Base-Base interactions energy: -21.796
where: short stacking energy: -15.803
Base-Backbone interact. energy: -0.274
local terms energy: -35.604010
where:
bonds (distance) C4'-P energy: -8.491
bonds (distance) P-C4' energy: -9.272
flat angles C4'-P-C4' energy: -9.780
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: 0.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -55.649887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.649887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.649887 (E_RNA)
where:
Base-Base interactions energy: -24.468
where: short stacking energy: -18.568
Base-Backbone interact. energy: 0.157
local terms energy: -31.338787
where:
bonds (distance) C4'-P energy: -3.174
bonds (distance) P-C4' energy: -11.043
flat angles C4'-P-C4' energy: -4.430
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -3.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -56.698655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.698655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.698655 (E_RNA)
where:
Base-Base interactions energy: -18.529
where: short stacking energy: -7.095
Base-Backbone interact. energy: 1.275
local terms energy: -39.444822
where:
bonds (distance) C4'-P energy: -8.111
bonds (distance) P-C4' energy: -10.422
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -5.578
tors. eta vs tors. theta energy: -3.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -140.892509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.892509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.892509 (E_RNA)
where:
Base-Base interactions energy: -91.791
where: short stacking energy: -38.948
Base-Backbone interact. energy: -0.903
local terms energy: -48.198190
where:
bonds (distance) C4'-P energy: -9.962
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -9.892
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: 2, replica: 5
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -125.138981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.138981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.138981 (E_RNA)
where:
Base-Base interactions energy: -75.533
where: short stacking energy: -27.793
Base-Backbone interact. energy: -0.088
local terms energy: -49.517690
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -8.676
flat angles P-C4'-P energy: -4.138
tors. eta vs tors. theta energy: -12.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -106.135680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.135680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.135680 (E_RNA)
where:
Base-Base interactions energy: -72.176
where: short stacking energy: -26.979
Base-Backbone interact. energy: -0.019
local terms energy: -33.940300
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -10.650
flat angles C4'-P-C4' energy: -4.944
flat angles P-C4'-P energy: -2.364
tors. eta vs tors. theta energy: -4.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -81.924717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.924717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.924717 (E_RNA)
where:
Base-Base interactions energy: -32.187
where: short stacking energy: -29.797
Base-Backbone interact. energy: 0.131
local terms energy: -49.868077
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -11.399
flat angles C4'-P-C4' energy: -10.172
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -11.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -79.854739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.854739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.854739 (E_RNA)
where:
Base-Base interactions energy: -36.766
where: short stacking energy: -25.203
Base-Backbone interact. energy: -0.069
local terms energy: -43.019157
where:
bonds (distance) C4'-P energy: -10.073
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -5.665
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: 6, replica: 1
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -87.762261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.762261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.762261 (E_RNA)
where:
Base-Base interactions energy: -41.024
where: short stacking energy: -24.064
Base-Backbone interact. energy: -0.056
local terms energy: -46.682143
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -8.323
flat angles P-C4'-P energy: -5.368
tors. eta vs tors. theta energy: -8.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -79.730728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.730728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.730728 (E_RNA)
where:
Base-Base interactions energy: -44.217
where: short stacking energy: -20.959
Base-Backbone interact. energy: -0.001
local terms energy: -35.512484
where:
bonds (distance) C4'-P energy: -8.661
bonds (distance) P-C4' energy: -10.183
flat angles C4'-P-C4' energy: -9.999
flat angles P-C4'-P energy: -4.398
tors. eta vs tors. theta energy: -2.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -57.785257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.785257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.785257 (E_RNA)
where:
Base-Base interactions energy: -15.511
where: short stacking energy: -15.511
Base-Backbone interact. energy: -0.001
local terms energy: -42.273284
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -10.259
flat angles C4'-P-C4' energy: -9.388
flat angles P-C4'-P energy: -4.794
tors. eta vs tors. theta energy: -5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -62.165483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.165483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.165483 (E_RNA)
where:
Base-Base interactions energy: -20.213
where: short stacking energy: -20.213
Base-Backbone interact. energy: -0.789
local terms energy: -41.163757
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -6.253
flat angles P-C4'-P energy: -7.925
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: 93
Temperature: 1.350000
Total energy: -56.828387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.828387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.828387 (E_RNA)
where:
Base-Base interactions energy: -22.834
where: short stacking energy: -22.834
Base-Backbone interact. energy: -0.064
local terms energy: -33.930718
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -8.843
flat angles P-C4'-P energy: -2.856
tors. eta vs tors. theta energy: -0.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -140.361133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.361133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.361133 (E_RNA)
where:
Base-Base interactions energy: -90.908
where: short stacking energy: -40.673
Base-Backbone interact. energy: -0.786
local terms energy: -48.667077
where:
bonds (distance) C4'-P energy: -9.333
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -5.079
tors. eta vs tors. theta energy: -9.911
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: 5
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -124.940204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.940204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.940204 (E_RNA)
where:
Base-Base interactions energy: -75.131
where: short stacking energy: -40.931
Base-Backbone interact. energy: -0.003
local terms energy: -49.806500
where:
bonds (distance) C4'-P energy: -7.773
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -10.500
flat angles P-C4'-P energy: -5.709
tors. eta vs tors. theta energy: -13.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -96.635081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.635081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.635081 (E_RNA)
where:
Base-Base interactions energy: -46.624
where: short stacking energy: -32.188
Base-Backbone interact. energy: -0.015
local terms energy: -49.995914
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -10.273
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -9.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -72.728645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.728645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.728645 (E_RNA)
where:
Base-Base interactions energy: -23.225
where: short stacking energy: -19.967
Base-Backbone interact. energy: -0.933
local terms energy: -48.570904
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -11.023
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -6.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -64.024227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.024227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.024227 (E_RNA)
where:
Base-Base interactions energy: -19.893
where: short stacking energy: -17.594
Base-Backbone interact. energy: -0.110
local terms energy: -44.020871
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -5.956
tors. eta vs tors. theta energy: -2.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -67.337263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.337263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.337263 (E_RNA)
where:
Base-Base interactions energy: -29.687
where: short stacking energy: -18.741
Base-Backbone interact. energy: -0.151
local terms energy: -37.499319
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -4.152
tors. eta vs tors. theta energy: 2.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -73.467717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.467717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.467717 (E_RNA)
where:
Base-Base interactions energy: -32.766
where: short stacking energy: -17.813
Base-Backbone interact. energy: -0.019
local terms energy: -40.683617
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -8.612
flat angles P-C4'-P energy: -4.527
tors. eta vs tors. theta energy: -2.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -67.604293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.604293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.604293 (E_RNA)
where:
Base-Base interactions energy: -32.269
where: short stacking energy: -27.154
Base-Backbone interact. energy: -0.005
local terms energy: -35.330129
where:
bonds (distance) C4'-P energy: -10.025
bonds (distance) P-C4' energy: -8.726
flat angles C4'-P-C4' energy: -8.054
flat angles P-C4'-P energy: -5.311
tors. eta vs tors. theta energy: -3.214
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: 7
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -55.278296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.278296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.278296 (E_RNA)
where:
Base-Base interactions energy: -24.087
where: short stacking energy: -19.598
Base-Backbone interact. energy: -0.005
local terms energy: -31.185484
where:
bonds (distance) C4'-P energy: -5.921
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -5.463
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: -2.149
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: 6
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -55.016852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.016852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.016852 (E_RNA)
where:
Base-Base interactions energy: -23.289
where: short stacking energy: -23.289
Base-Backbone interact. energy: -0.133
local terms energy: -31.594675
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -10.731
flat angles C4'-P-C4' energy: -8.608
flat angles P-C4'-P energy: -5.990
tors. eta vs tors. theta energy: -1.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -133.705316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.705316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.705316 (E_RNA)
where:
Base-Base interactions energy: -81.008
where: short stacking energy: -30.794
Base-Backbone interact. energy: -0.093
local terms energy: -52.603963
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -6.705
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: 2, replica: 5
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -127.739532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.739532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.739532 (E_RNA)
where:
Base-Base interactions energy: -74.510
where: short stacking energy: -33.369
Base-Backbone interact. energy: -0.324
local terms energy: -52.905708
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -8.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -106.416691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.416691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.416691 (E_RNA)
where:
Base-Base interactions energy: -58.603
where: short stacking energy: -22.027
Base-Backbone interact. energy: -0.239
local terms energy: -47.575101
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -9.449
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -5.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -78.353590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.353590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.353590 (E_RNA)
where:
Base-Base interactions energy: -32.755
where: short stacking energy: -23.120
Base-Backbone interact. energy: -0.042
local terms energy: -45.557033
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -3.701
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: 2
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -67.754125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.754125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.754125 (E_RNA)
where:
Base-Base interactions energy: -25.692
where: short stacking energy: -21.194
Base-Backbone interact. energy: -0.196
local terms energy: -41.866000
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -10.576
flat angles C4'-P-C4' energy: -11.387
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: -3.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -75.565874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.565874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.565874 (E_RNA)
where:
Base-Base interactions energy: -28.677
where: short stacking energy: -28.677
Base-Backbone interact. energy: -0.074
local terms energy: -46.815072
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -7.628
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -7.379
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: 3
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -68.336624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.336624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.336624 (E_RNA)
where:
Base-Base interactions energy: -28.102
where: short stacking energy: -23.357
Base-Backbone interact. energy: -0.234
local terms energy: -40.000975
where:
bonds (distance) C4'-P energy: -7.930
bonds (distance) P-C4' energy: -9.727
flat angles C4'-P-C4' energy: -10.586
flat angles P-C4'-P energy: -6.047
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: 8, replica: 7
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -59.061030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.061030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.061030 (E_RNA)
where:
Base-Base interactions energy: -26.504
where: short stacking energy: -22.014
Base-Backbone interact. energy: -0.125
local terms energy: -32.431752
where:
bonds (distance) C4'-P energy: -5.217
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -5.212
flat angles P-C4'-P energy: -5.683
tors. eta vs tors. theta energy: -4.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -54.281089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.281089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.281089 (E_RNA)
where:
Base-Base interactions energy: -18.956
where: short stacking energy: -15.951
Base-Backbone interact. energy: 0.341
local terms energy: -35.666691
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -10.722
flat angles C4'-P-C4' energy: -9.049
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: 0.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -50.890501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.890501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.890501 (E_RNA)
where:
Base-Base interactions energy: -13.203
where: short stacking energy: -12.418
Base-Backbone interact. energy: -0.025
local terms energy: -37.662768
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -9.268
flat angles C4'-P-C4' energy: -9.334
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -1.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -136.424249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.424249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.424249 (E_RNA)
where:
Base-Base interactions energy: -82.466
where: short stacking energy: -32.555
Base-Backbone interact. energy: -1.326
local terms energy: -52.631433
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -9.238
flat angles C4'-P-C4' energy: -9.382
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -11.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -125.041429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.041429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.041429 (E_RNA)
where:
Base-Base interactions energy: -76.996
where: short stacking energy: -38.974
Base-Backbone interact. energy: -0.556
local terms energy: -47.488766
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -8.405
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: 3, replica: 8
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -127.058652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.058652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.058652 (E_RNA)
where:
Base-Base interactions energy: -81.269
where: short stacking energy: -36.081
Base-Backbone interact. energy: 0.888
local terms energy: -46.677685
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -3.353
tors. eta vs tors. theta energy: -8.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -86.546339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.546339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.546339 (E_RNA)
where:
Base-Base interactions energy: -41.716
where: short stacking energy: -30.578
Base-Backbone interact. energy: -0.192
local terms energy: -44.638161
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -10.674
flat angles P-C4'-P energy: -4.440
tors. eta vs tors. theta energy: -6.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -66.833215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.833215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.833215 (E_RNA)
where:
Base-Base interactions energy: -24.447
where: short stacking energy: -20.137
Base-Backbone interact. energy: -0.230
local terms energy: -42.156788
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -12.245
flat angles C4'-P-C4' energy: -9.551
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -0.957
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: 2
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -73.365523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.365523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.365523 (E_RNA)
where:
Base-Base interactions energy: -33.508
where: short stacking energy: -21.277
Base-Backbone interact. energy: -0.070
local terms energy: -39.787382
where:
bonds (distance) C4'-P energy: -7.035
bonds (distance) P-C4' energy: -11.914
flat angles C4'-P-C4' energy: -10.090
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -3.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -78.526604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.526604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.526604 (E_RNA)
where:
Base-Base interactions energy: -49.360
where: short stacking energy: -18.988
Base-Backbone interact. energy: -0.234
local terms energy: -28.931988
where:
bonds (distance) C4'-P energy: -8.149
bonds (distance) P-C4' energy: -9.385
flat angles C4'-P-C4' energy: -6.741
flat angles P-C4'-P energy: -2.839
tors. eta vs tors. theta energy: -1.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -58.971122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.971122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.971122 (E_RNA)
where:
Base-Base interactions energy: -20.141
where: short stacking energy: -19.846
Base-Backbone interact. energy: -0.084
local terms energy: -38.746272
where:
bonds (distance) C4'-P energy: -8.782
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -3.529
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -3.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -65.273222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.273222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.273222 (E_RNA)
where:
Base-Base interactions energy: -28.771
where: short stacking energy: -28.112
Base-Backbone interact. energy: -0.045
local terms energy: -36.457058
where:
bonds (distance) C4'-P energy: -1.703
bonds (distance) P-C4' energy: -10.754
flat angles C4'-P-C4' energy: -4.940
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -11.815
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: 10, replica: 9
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -59.103586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.103586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.103586 (E_RNA)
where:
Base-Base interactions energy: -21.515
where: short stacking energy: -15.850
Base-Backbone interact. energy: -0.208
local terms energy: -37.380628
where:
bonds (distance) C4'-P energy: -10.174
bonds (distance) P-C4' energy: -10.941
flat angles C4'-P-C4' energy: -6.624
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -0.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -130.955075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.955075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.955075 (E_RNA)
where:
Base-Base interactions energy: -85.029
where: short stacking energy: -33.306
Base-Backbone interact. energy: -0.451
local terms energy: -45.475259
where:
bonds (distance) C4'-P energy: -6.361
bonds (distance) P-C4' energy: -10.843
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -8.194
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: 2, replica: 5
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -119.369550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.369550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.369550 (E_RNA)
where:
Base-Base interactions energy: -75.052
where: short stacking energy: -34.498
Base-Backbone interact. energy: -1.004
local terms energy: -43.313032
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -6.890
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -4.242
tors. eta vs tors. theta energy: -8.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -116.036190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.036190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.036190 (E_RNA)
where:
Base-Base interactions energy: -63.789
where: short stacking energy: -24.002
Base-Backbone interact. energy: -0.036
local terms energy: -52.211462
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -4.911
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: 4, replica: 4
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -87.940194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.940194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.940194 (E_RNA)
where:
Base-Base interactions energy: -35.322
where: short stacking energy: -35.322
Base-Backbone interact. energy: -0.000
local terms energy: -52.618089
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -9.894
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -10.368
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: 1
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -63.887855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.887855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.887855 (E_RNA)
where:
Base-Base interactions energy: -19.502
where: short stacking energy: -19.502
Base-Backbone interact. energy: -0.357
local terms energy: -44.029289
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -10.784
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -7.877
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: 6, replica: 2
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -67.857456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.857456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.857456 (E_RNA)
where:
Base-Base interactions energy: -27.997
where: short stacking energy: -19.088
Base-Backbone interact. energy: -0.001
local terms energy: -39.859186
where:
bonds (distance) C4'-P energy: -6.894
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -10.554
flat angles P-C4'-P energy: -5.082
tors. eta vs tors. theta energy: -4.942
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: 3
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -69.713717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.713717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.713717 (E_RNA)
where:
Base-Base interactions energy: -32.395
where: short stacking energy: -11.376
Base-Backbone interact. energy: -0.054
local terms energy: -37.264182
where:
bonds (distance) C4'-P energy: -8.915
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -9.298
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: 0.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -65.936990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.936990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.936990 (E_RNA)
where:
Base-Base interactions energy: -37.999
where: short stacking energy: -17.816
Base-Backbone interact. energy: -0.169
local terms energy: -27.768356
where:
bonds (distance) C4'-P energy: -10.567
bonds (distance) P-C4' energy: -6.768
flat angles C4'-P-C4' energy: -7.621
flat angles P-C4'-P energy: -1.942
tors. eta vs tors. theta energy: -0.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -58.497048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.497048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.497048 (E_RNA)
where:
Base-Base interactions energy: -17.138
where: short stacking energy: -15.606
Base-Backbone interact. energy: -0.231
local terms energy: -41.128631
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -8.499
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -0.029
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: 9
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -51.226996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.226996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.226996 (E_RNA)
where:
Base-Base interactions energy: -16.383
where: short stacking energy: -16.583
Base-Backbone interact. energy: -0.059
local terms energy: -34.784198
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -7.537
flat angles C4'-P-C4' energy: -8.624
flat angles P-C4'-P energy: -5.491
tors. eta vs tors. theta energy: -1.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -141.973148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.973148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.973148 (E_RNA)
where:
Base-Base interactions energy: -86.073
where: short stacking energy: -35.817
Base-Backbone interact. energy: -1.187
local terms energy: -54.713408
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -11.442
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -12.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -115.599548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.599548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.599548 (E_RNA)
where:
Base-Base interactions energy: -71.232
where: short stacking energy: -31.249
Base-Backbone interact. energy: -0.013
local terms energy: -44.354780
where:
bonds (distance) C4'-P energy: -9.032
bonds (distance) P-C4' energy: -9.932
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -6.403
tors. eta vs tors. theta energy: -7.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -94.938133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.938133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.938133 (E_RNA)
where:
Base-Base interactions energy: -47.130
where: short stacking energy: -34.034
Base-Backbone interact. energy: -0.002
local terms energy: -47.806456
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -5.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -93.047578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.047578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.047578 (E_RNA)
where:
Base-Base interactions energy: -57.256
where: short stacking energy: -22.572
Base-Backbone interact. energy: -0.385
local terms energy: -35.405858
where:
bonds (distance) C4'-P energy: -8.509
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -7.809
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: 0.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -68.429301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.429301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.429301 (E_RNA)
where:
Base-Base interactions energy: -25.980
where: short stacking energy: -16.596
Base-Backbone interact. energy: -0.038
local terms energy: -42.411028
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -8.390
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -0.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -73.686821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.686821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.686821 (E_RNA)
where:
Base-Base interactions energy: -33.688
where: short stacking energy: -20.195
Base-Backbone interact. energy: 0.071
local terms energy: -40.069910
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -9.810
flat angles P-C4'-P energy: -3.503
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: 7, replica: 6
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -59.660506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.660506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.660506 (E_RNA)
where:
Base-Base interactions energy: -23.850
where: short stacking energy: -23.425
Base-Backbone interact. energy: -0.025
local terms energy: -35.785596
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -9.063
flat angles C4'-P-C4' energy: -8.391
flat angles P-C4'-P energy: -5.928
tors. eta vs tors. theta energy: -0.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -56.520759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.520759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.520759 (E_RNA)
where:
Base-Base interactions energy: -18.289
where: short stacking energy: -11.921
Base-Backbone interact. energy: -0.419
local terms energy: -37.812508
where:
bonds (distance) C4'-P energy: -7.324
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: 0.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -57.382563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.382563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.382563 (E_RNA)
where:
Base-Base interactions energy: -20.226
where: short stacking energy: -15.238
Base-Backbone interact. energy: -0.112
local terms energy: -37.045404
where:
bonds (distance) C4'-P energy: -8.741
bonds (distance) P-C4' energy: -10.024
flat angles C4'-P-C4' energy: -10.784
flat angles P-C4'-P energy: -6.030
tors. eta vs tors. theta energy: -1.467
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: 7
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -55.901923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.901923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.901923 (E_RNA)
where:
Base-Base interactions energy: -24.728
where: short stacking energy: -13.217
Base-Backbone interact. energy: -0.193
local terms energy: -30.981504
where:
bonds (distance) C4'-P energy: -8.571
bonds (distance) P-C4' energy: -9.137
flat angles C4'-P-C4' energy: -9.923
flat angles P-C4'-P energy: -7.504
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: 1, replica: 10
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -139.897818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.897818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.897818 (E_RNA)
where:
Base-Base interactions energy: -88.810
where: short stacking energy: -29.188
Base-Backbone interact. energy: -1.485
local terms energy: -49.603239
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -9.427
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -9.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -127.459096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.459096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.459096 (E_RNA)
where:
Base-Base interactions energy: -74.806
where: short stacking energy: -37.393
Base-Backbone interact. energy: -0.002
local terms energy: -52.651067
where:
bonds (distance) C4'-P energy: -8.786
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -12.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -87.121644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.121644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.121644 (E_RNA)
where:
Base-Base interactions energy: -50.004
where: short stacking energy: -25.360
Base-Backbone interact. energy: -0.228
local terms energy: -36.890154
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -9.116
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -3.403
tors. eta vs tors. theta energy: -1.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -105.242344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.242344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.242344 (E_RNA)
where:
Base-Base interactions energy: -66.543
where: short stacking energy: -31.162
Base-Backbone interact. energy: 0.003
local terms energy: -38.703001
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -8.600
flat angles C4'-P-C4' energy: -8.046
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -4.441
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: 2
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -68.378685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.378685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.378685 (E_RNA)
where:
Base-Base interactions energy: -39.051
where: short stacking energy: -30.613
Base-Backbone interact. energy: -0.817
local terms energy: -28.510292
where:
bonds (distance) C4'-P energy: -6.584
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -3.281
flat angles P-C4'-P energy: -3.604
tors. eta vs tors. theta energy: -3.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -68.023728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.023728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.023728 (E_RNA)
where:
Base-Base interactions energy: -23.714
where: short stacking energy: -21.254
Base-Backbone interact. energy: -0.161
local terms energy: -44.148620
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -10.641
flat angles C4'-P-C4' energy: -9.374
flat angles P-C4'-P energy: -7.309
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: 7, replica: 1
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -73.579726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.579726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.579726 (E_RNA)
where:
Base-Base interactions energy: -31.361
where: short stacking energy: -24.323
Base-Backbone interact. energy: -0.229
local terms energy: -41.990182
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -7.764
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -2.243
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: 9
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -60.533108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.533108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.533108 (E_RNA)
where:
Base-Base interactions energy: -15.947
where: short stacking energy: -13.693
Base-Backbone interact. energy: -0.125
local terms energy: -44.460640
where:
bonds (distance) C4'-P energy: -9.788
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -3.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -62.812755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.812755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.812755 (E_RNA)
where:
Base-Base interactions energy: -23.058
where: short stacking energy: -15.247
Base-Backbone interact. energy: -0.052
local terms energy: -39.701975
where:
bonds (distance) C4'-P energy: -8.716
bonds (distance) P-C4' energy: -10.774
flat angles C4'-P-C4' energy: -9.480
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -3.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -63.777105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.777105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.777105 (E_RNA)
where:
Base-Base interactions energy: -26.645
where: short stacking energy: -8.743
Base-Backbone interact. energy: -0.076
local terms energy: -37.055794
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -11.814
flat angles C4'-P-C4' energy: -9.209
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: -0.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -127.094426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.094426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.094426 (E_RNA)
where:
Base-Base interactions energy: -83.673
where: short stacking energy: -36.467
Base-Backbone interact. energy: -0.220
local terms energy: -43.202192
where:
bonds (distance) C4'-P energy: -8.563
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -8.997
flat angles P-C4'-P energy: -4.336
tors. eta vs tors. theta energy: -9.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -131.023816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.023816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.023816 (E_RNA)
where:
Base-Base interactions energy: -81.418
where: short stacking energy: -28.441
Base-Backbone interact. energy: -0.049
local terms energy: -49.556543
where:
bonds (distance) C4'-P energy: -11.481
bonds (distance) P-C4' energy: -10.389
flat angles C4'-P-C4' energy: -9.922
flat angles P-C4'-P energy: -7.173
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: 3, replica: 8
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -109.771211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.771211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.771211 (E_RNA)
where:
Base-Base interactions energy: -71.415
where: short stacking energy: -20.162
Base-Backbone interact. energy: -0.109
local terms energy: -38.247295
where:
bonds (distance) C4'-P energy: -9.566
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -6.382
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -70.852025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.852025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.852025 (E_RNA)
where:
Base-Base interactions energy: -30.869
where: short stacking energy: -18.197
Base-Backbone interact. energy: -0.455
local terms energy: -39.528066
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -8.647
flat angles P-C4'-P energy: -4.607
tors. eta vs tors. theta energy: -1.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -64.334816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.334816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.334816 (E_RNA)
where:
Base-Base interactions energy: -23.111
where: short stacking energy: -22.644
Base-Backbone interact. energy: -0.091
local terms energy: -41.132633
where:
bonds (distance) C4'-P energy: -9.396
bonds (distance) P-C4' energy: -11.364
flat angles C4'-P-C4' energy: -7.734
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -3.371
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: 2
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -70.641700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.641700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.641700 (E_RNA)
where:
Base-Base interactions energy: -29.247
where: short stacking energy: -18.104
Base-Backbone interact. energy: -0.280
local terms energy: -41.114901
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -6.560
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: 7, replica: 9
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -63.460560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.460560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.460560 (E_RNA)
where:
Base-Base interactions energy: -26.036
where: short stacking energy: -19.144
Base-Backbone interact. energy: -0.538
local terms energy: -36.886248
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -9.662
flat angles C4'-P-C4' energy: -8.392
flat angles P-C4'-P energy: -3.111
tors. eta vs tors. theta energy: -5.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -63.314917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.314917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.314917 (E_RNA)
where:
Base-Base interactions energy: -28.210
where: short stacking energy: -20.727
Base-Backbone interact. energy: 0.628
local terms energy: -35.732876
where:
bonds (distance) C4'-P energy: -9.060
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -5.119
flat angles P-C4'-P energy: -4.164
tors. eta vs tors. theta energy: -4.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -68.189955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.189955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.189955 (E_RNA)
where:
Base-Base interactions energy: -24.417
where: short stacking energy: -24.417
Base-Backbone interact. energy: -0.003
local terms energy: -43.770040
where:
bonds (distance) C4'-P energy: -10.036
bonds (distance) P-C4' energy: -8.723
flat angles C4'-P-C4' energy: -8.879
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -6.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -52.254766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.254766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.254766 (E_RNA)
where:
Base-Base interactions energy: -12.479
where: short stacking energy: -12.479
Base-Backbone interact. energy: -0.240
local terms energy: -39.535293
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -8.352
flat angles C4'-P-C4' energy: -10.422
flat angles P-C4'-P energy: -7.667
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: 1, replica: 10
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -132.010816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.010816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.010816 (E_RNA)
where:
Base-Base interactions energy: -80.902
where: short stacking energy: -28.723
Base-Backbone interact. energy: -1.085
local terms energy: -50.023195
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -9.439
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -8.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -114.175762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.175762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.175762 (E_RNA)
where:
Base-Base interactions energy: -72.485
where: short stacking energy: -25.580
Base-Backbone interact. energy: -0.981
local terms energy: -40.709648
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -4.237
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: 3, replica: 5
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -114.653441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.653441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.653441 (E_RNA)
where:
Base-Base interactions energy: -76.299
where: short stacking energy: -26.969
Base-Backbone interact. energy: -0.050
local terms energy: -38.304492
where:
bonds (distance) C4'-P energy: -9.460
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -7.732
flat angles P-C4'-P energy: -3.440
tors. eta vs tors. theta energy: -5.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -83.362219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.362219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.362219 (E_RNA)
where:
Base-Base interactions energy: -38.786
where: short stacking energy: -19.010
Base-Backbone interact. energy: -0.052
local terms energy: -44.524269
where:
bonds (distance) C4'-P energy: -7.789
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -9.980
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -4.197
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: 101
Temperature: 1.100000
Total energy: -86.111334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.111334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.111334 (E_RNA)
where:
Base-Base interactions energy: -47.442
where: short stacking energy: -28.171
Base-Backbone interact. energy: -0.905
local terms energy: -37.764604
where:
bonds (distance) C4'-P energy: -5.910
bonds (distance) P-C4' energy: -8.184
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -7.634
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: 6, replica: 9
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -64.412494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.412494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.412494 (E_RNA)
where:
Base-Base interactions energy: -24.829
where: short stacking energy: -24.829
Base-Backbone interact. energy: -0.017
local terms energy: -39.565905
where:
bonds (distance) C4'-P energy: -8.693
bonds (distance) P-C4' energy: -10.234
flat angles C4'-P-C4' energy: -7.747
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -5.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -70.198446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.198446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.198446 (E_RNA)
where:
Base-Base interactions energy: -29.094
where: short stacking energy: -24.158
Base-Backbone interact. energy: -0.039
local terms energy: -41.066041
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -9.075
flat angles C4'-P-C4' energy: -9.981
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -4.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -69.552500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.552500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.552500 (E_RNA)
where:
Base-Base interactions energy: -29.197
where: short stacking energy: -23.217
Base-Backbone interact. energy: -0.215
local terms energy: -40.140974
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -8.210
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: 1.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -59.357050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.357050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.357050 (E_RNA)
where:
Base-Base interactions energy: -17.583
where: short stacking energy: -17.838
Base-Backbone interact. energy: -0.133
local terms energy: -41.640600
where:
bonds (distance) C4'-P energy: -9.540
bonds (distance) P-C4' energy: -9.897
flat angles C4'-P-C4' energy: -10.531
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -1.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -52.805247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.805247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.805247 (E_RNA)
where:
Base-Base interactions energy: -20.685
where: short stacking energy: -18.010
Base-Backbone interact. energy: -0.183
local terms energy: -31.937340
where:
bonds (distance) C4'-P energy: -6.977
bonds (distance) P-C4' energy: -11.331
flat angles C4'-P-C4' energy: -3.980
flat angles P-C4'-P energy: -7.881
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: 1, replica: 10
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -129.441785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.441785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.441785 (E_RNA)
where:
Base-Base interactions energy: -78.411
where: short stacking energy: -26.886
Base-Backbone interact. energy: -0.756
local terms energy: -50.274820
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -6.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -115.799006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.799006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.799006 (E_RNA)
where:
Base-Base interactions energy: -68.644
where: short stacking energy: -22.251
Base-Backbone interact. energy: -0.069
local terms energy: -47.085543
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -2.913
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: 6
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -76.048953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.048953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.048953 (E_RNA)
where:
Base-Base interactions energy: -35.099
where: short stacking energy: -31.230
Base-Backbone interact. energy: -0.009
local terms energy: -40.940603
where:
bonds (distance) C4'-P energy: -11.481
bonds (distance) P-C4' energy: -10.985
flat angles C4'-P-C4' energy: -7.779
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -3.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -84.067323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.067323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.067323 (E_RNA)
where:
Base-Base interactions energy: -40.797
where: short stacking energy: -25.252
Base-Backbone interact. energy: -0.026
local terms energy: -43.244349
where:
bonds (distance) C4'-P energy: -9.187
bonds (distance) P-C4' energy: -11.073
flat angles C4'-P-C4' energy: -9.177
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -5.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -83.993287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.993287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.993287 (E_RNA)
where:
Base-Base interactions energy: -45.003
where: short stacking energy: -20.326
Base-Backbone interact. energy: 0.155
local terms energy: -39.145196
where:
bonds (distance) C4'-P energy: -9.585
bonds (distance) P-C4' energy: -8.941
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: -2.733
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: 4
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -80.074707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.074707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.074707 (E_RNA)
where:
Base-Base interactions energy: -41.079
where: short stacking energy: -23.153
Base-Backbone interact. energy: 0.607
local terms energy: -39.603151
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -10.253
flat angles C4'-P-C4' energy: -8.142
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -1.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -66.071531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.071531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.071531 (E_RNA)
where:
Base-Base interactions energy: -29.417
where: short stacking energy: -16.095
Base-Backbone interact. energy: -0.028
local terms energy: -36.626735
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -10.035
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -5.899
tors. eta vs tors. theta energy: 0.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -67.779079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.779079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.779079 (E_RNA)
where:
Base-Base interactions energy: -28.696
where: short stacking energy: -21.471
Base-Backbone interact. energy: -0.082
local terms energy: -39.000165
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -7.812
flat angles C4'-P-C4' energy: -5.807
flat angles P-C4'-P energy: -9.001
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: 9, replica: 1
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -63.021178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.021178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.021178 (E_RNA)
where:
Base-Base interactions energy: -20.703
where: short stacking energy: -20.703
Base-Backbone interact. energy: -0.209
local terms energy: -42.109175
where:
bonds (distance) C4'-P energy: -9.358
bonds (distance) P-C4' energy: -11.235
flat angles C4'-P-C4' energy: -9.004
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -5.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -57.016041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.016041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.016041 (E_RNA)
where:
Base-Base interactions energy: -17.657
where: short stacking energy: -7.991
Base-Backbone interact. energy: -0.147
local terms energy: -39.212624
where:
bonds (distance) C4'-P energy: -7.515
bonds (distance) P-C4' energy: -10.715
flat angles C4'-P-C4' energy: -9.630
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -1.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -130.823963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.823963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.823963 (E_RNA)
where:
Base-Base interactions energy: -82.015
where: short stacking energy: -28.239
Base-Backbone interact. energy: -0.360
local terms energy: -48.448127
where:
bonds (distance) C4'-P energy: -9.349
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -8.985
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: 2, replica: 8
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -126.329425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.329425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.329425 (E_RNA)
where:
Base-Base interactions energy: -87.475
where: short stacking energy: -25.958
Base-Backbone interact. energy: -0.609
local terms energy: -38.245142
where:
bonds (distance) C4'-P energy: -10.112
bonds (distance) P-C4' energy: -8.010
flat angles C4'-P-C4' energy: -8.347
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -4.859
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: 3, replica: 6
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -87.074272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.074272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.074272 (E_RNA)
where:
Base-Base interactions energy: -39.846
where: short stacking energy: -28.655
Base-Backbone interact. energy: -0.002
local terms energy: -47.226732
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -10.823
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -6.395
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: 9
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -67.048644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.048644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.048644 (E_RNA)
where:
Base-Base interactions energy: -24.664
where: short stacking energy: -21.618
Base-Backbone interact. energy: -0.429
local terms energy: -41.955632
where:
bonds (distance) C4'-P energy: -8.886
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -6.803
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -6.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -76.173634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.173634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.173634 (E_RNA)
where:
Base-Base interactions energy: -32.904
where: short stacking energy: -23.341
Base-Backbone interact. energy: 0.214
local terms energy: -43.484303
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -10.231
flat angles P-C4'-P energy: -9.057
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: 6, replica: 2
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -75.281432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.281432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.281432 (E_RNA)
where:
Base-Base interactions energy: -40.001
where: short stacking energy: -19.711
Base-Backbone interact. energy: -0.446
local terms energy: -34.834860
where:
bonds (distance) C4'-P energy: -9.246
bonds (distance) P-C4' energy: -8.128
flat angles C4'-P-C4' energy: -8.433
flat angles P-C4'-P energy: -6.018
tors. eta vs tors. theta energy: -3.009
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: 4
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -62.272232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.272232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.272232 (E_RNA)
where:
Base-Base interactions energy: -22.649
where: short stacking energy: -20.678
Base-Backbone interact. energy: -0.619
local terms energy: -39.004091
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -5.147
tors. eta vs tors. theta energy: -2.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -57.326574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.326574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.326574 (E_RNA)
where:
Base-Base interactions energy: -26.014
where: short stacking energy: -24.747
Base-Backbone interact. energy: -0.000
local terms energy: -31.312267
where:
bonds (distance) C4'-P energy: -8.542
bonds (distance) P-C4' energy: -5.187
flat angles C4'-P-C4' energy: -9.200
flat angles P-C4'-P energy: -2.284
tors. eta vs tors. theta energy: -6.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -62.807727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.807727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.807727 (E_RNA)
where:
Base-Base interactions energy: -27.109
where: short stacking energy: -15.208
Base-Backbone interact. energy: -0.004
local terms energy: -35.694148
where:
bonds (distance) C4'-P energy: -6.991
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -2.957
tors. eta vs tors. theta energy: -0.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -60.168829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.168829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.168829 (E_RNA)
where:
Base-Base interactions energy: -23.827
where: short stacking energy: -20.957
Base-Backbone interact. energy: -0.030
local terms energy: -36.311493
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -8.322
flat angles P-C4'-P energy: -5.084
tors. eta vs tors. theta energy: -1.268
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: 1, replica: 10
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -135.929620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.929620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.929620 (E_RNA)
where:
Base-Base interactions energy: -85.567
where: short stacking energy: -34.349
Base-Backbone interact. energy: -1.100
local terms energy: -49.262268
where:
bonds (distance) C4'-P energy: -7.869
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -8.245
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: 104
Temperature: 0.950000
Total energy: -115.944933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.944933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.944933 (E_RNA)
where:
Base-Base interactions energy: -77.227
where: short stacking energy: -26.334
Base-Backbone interact. energy: -0.768
local terms energy: -37.950214
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -10.622
flat angles C4'-P-C4' energy: -8.395
flat angles P-C4'-P energy: -8.306
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: 3, replica: 9
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -85.450388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.450388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.450388 (E_RNA)
where:
Base-Base interactions energy: -42.002
where: short stacking energy: -32.909
Base-Backbone interact. energy: 0.691
local terms energy: -44.139604
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -11.547
flat angles P-C4'-P energy: -5.683
tors. eta vs tors. theta energy: -5.729
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: 6
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -73.918320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.918320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.918320 (E_RNA)
where:
Base-Base interactions energy: -35.483
where: short stacking energy: -28.346
Base-Backbone interact. energy: -0.002
local terms energy: -38.433856
where:
bonds (distance) C4'-P energy: -7.995
bonds (distance) P-C4' energy: -10.792
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -2.105
tors. eta vs tors. theta energy: -4.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -87.427807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.427807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.427807 (E_RNA)
where:
Base-Base interactions energy: -42.792
where: short stacking energy: -31.188
Base-Backbone interact. energy: -0.040
local terms energy: -44.595458
where:
bonds (distance) C4'-P energy: -8.377
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -2.347
tors. eta vs tors. theta energy: -8.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -66.078615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.078615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.078615 (E_RNA)
where:
Base-Base interactions energy: -22.453
where: short stacking energy: -20.052
Base-Backbone interact. energy: -0.009
local terms energy: -43.617039
where:
bonds (distance) C4'-P energy: -11.563
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -8.967
flat angles P-C4'-P energy: -4.156
tors. eta vs tors. theta energy: -5.824
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: 7, replica: 1
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -68.304086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.304086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.304086 (E_RNA)
where:
Base-Base interactions energy: -27.107
where: short stacking energy: -20.540
Base-Backbone interact. energy: -0.117
local terms energy: -41.079966
where:
bonds (distance) C4'-P energy: -8.920
bonds (distance) P-C4' energy: -9.098
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -3.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -58.676710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.676710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.676710 (E_RNA)
where:
Base-Base interactions energy: -31.279
where: short stacking energy: -20.262
Base-Backbone interact. energy: -0.243
local terms energy: -27.154075
where:
bonds (distance) C4'-P energy: -7.577
bonds (distance) P-C4' energy: -9.250
flat angles C4'-P-C4' energy: -8.020
flat angles P-C4'-P energy: -3.004
tors. eta vs tors. theta energy: 0.697
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: 9, replica: 3
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -60.978346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.978346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.978346 (E_RNA)
where:
Base-Base interactions energy: -28.024
where: short stacking energy: -12.372
Base-Backbone interact. energy: -0.054
local terms energy: -32.899840
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -7.530
flat angles C4'-P-C4' energy: -8.515
flat angles P-C4'-P energy: -2.866
tors. eta vs tors. theta energy: -1.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -56.031143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.031143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.031143 (E_RNA)
where:
Base-Base interactions energy: -19.362
where: short stacking energy: -11.445
Base-Backbone interact. energy: -0.404
local terms energy: -36.265731
where:
bonds (distance) C4'-P energy: -9.424
bonds (distance) P-C4' energy: -9.449
flat angles C4'-P-C4' energy: -11.161
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: 2.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -134.796441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.796441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.796441 (E_RNA)
where:
Base-Base interactions energy: -82.961
where: short stacking energy: -28.591
Base-Backbone interact. energy: -1.185
local terms energy: -50.650422
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -10.604
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -7.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -120.071865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.071865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.071865 (E_RNA)
where:
Base-Base interactions energy: -72.117
where: short stacking energy: -32.089
Base-Backbone interact. energy: -0.109
local terms energy: -47.846084
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -8.992
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -6.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -79.704738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.704738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.704738 (E_RNA)
where:
Base-Base interactions energy: -35.890
where: short stacking energy: -21.584
Base-Backbone interact. energy: -0.124
local terms energy: -43.690933
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -10.293
flat angles P-C4'-P energy: -4.910
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: 4, replica: 2
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -76.600411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.600411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.600411 (E_RNA)
where:
Base-Base interactions energy: -35.947
where: short stacking energy: -27.598
Base-Backbone interact. energy: -0.008
local terms energy: -40.645144
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -10.594
flat angles P-C4'-P energy: -4.542
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: 5, replica: 6
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -73.734118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.734118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.734118 (E_RNA)
where:
Base-Base interactions energy: -32.788
where: short stacking energy: -25.043
Base-Backbone interact. energy: -0.049
local terms energy: -40.896494
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -9.217
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -1.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -61.707596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.707596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.707596 (E_RNA)
where:
Base-Base interactions energy: -26.757
where: short stacking energy: -19.692
Base-Backbone interact. energy: 1.125
local terms energy: -36.076059
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -6.721
flat angles C4'-P-C4' energy: -8.945
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -1.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -76.606704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.606704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.606704 (E_RNA)
where:
Base-Base interactions energy: -35.122
where: short stacking energy: -31.157
Base-Backbone interact. energy: -0.069
local terms energy: -41.415552
where:
bonds (distance) C4'-P energy: -8.683
bonds (distance) P-C4' energy: -8.728
flat angles C4'-P-C4' energy: -10.284
flat angles P-C4'-P energy: -4.762
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: 3
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -64.270929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.270929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.270929 (E_RNA)
where:
Base-Base interactions energy: -27.902
where: short stacking energy: -17.046
Base-Backbone interact. energy: -0.277
local terms energy: -36.092299
where:
bonds (distance) C4'-P energy: -8.170
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -10.022
flat angles P-C4'-P energy: -2.725
tors. eta vs tors. theta energy: -3.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -72.910037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.910037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.910037 (E_RNA)
where:
Base-Base interactions energy: -27.420
where: short stacking energy: -27.268
Base-Backbone interact. energy: -0.038
local terms energy: -45.452157
where:
bonds (distance) C4'-P energy: -9.908
bonds (distance) P-C4' energy: -9.475
flat angles C4'-P-C4' energy: -10.819
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -7.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -63.583667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.583667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.583667 (E_RNA)
where:
Base-Base interactions energy: -21.460
where: short stacking energy: -21.460
Base-Backbone interact. energy: -0.014
local terms energy: -42.109934
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -8.112
flat angles C4'-P-C4' energy: -8.268
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -5.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -120.970245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.970245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.970245 (E_RNA)
where:
Base-Base interactions energy: -67.503
where: short stacking energy: -32.824
Base-Backbone interact. energy: -0.126
local terms energy: -53.341760
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -10.231
flat angles C4'-P-C4' energy: -11.179
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -11.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -121.159489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.159489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.159489 (E_RNA)
where:
Base-Base interactions energy: -76.651
where: short stacking energy: -31.695
Base-Backbone interact. energy: -0.018
local terms energy: -44.490987
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -7.861
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -6.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -107.641080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.641080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.641080 (E_RNA)
where:
Base-Base interactions energy: -64.589
where: short stacking energy: -35.080
Base-Backbone interact. energy: -0.440
local terms energy: -42.612430
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -6.775
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -3.174
tors. eta vs tors. theta energy: -8.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -72.094693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.094693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.094693 (E_RNA)
where:
Base-Base interactions energy: -34.717
where: short stacking energy: -17.785
Base-Backbone interact. energy: -0.185
local terms energy: -37.192288
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -7.690
flat angles P-C4'-P energy: -5.876
tors. eta vs tors. theta energy: -1.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -72.750499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.750499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.750499 (E_RNA)
where:
Base-Base interactions energy: -36.453
where: short stacking energy: -23.520
Base-Backbone interact. energy: -0.022
local terms energy: -36.275568
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -5.963
flat angles P-C4'-P energy: -7.109
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: 6, replica: 1
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -62.467636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.467636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.467636 (E_RNA)
where:
Base-Base interactions energy: -26.431
where: short stacking energy: -14.999
Base-Backbone interact. energy: -0.008
local terms energy: -36.028799
where:
bonds (distance) C4'-P energy: -8.676
bonds (distance) P-C4' energy: -8.456
flat angles C4'-P-C4' energy: -8.533
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -1.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -76.443975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.443975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.443975 (E_RNA)
where:
Base-Base interactions energy: -31.292
where: short stacking energy: -24.356
Base-Backbone interact. energy: -0.001
local terms energy: -45.151016
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -11.729
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -5.089
tors. eta vs tors. theta energy: -6.382
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: 5
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -59.692336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.692336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.692336 (E_RNA)
where:
Base-Base interactions energy: -27.131
where: short stacking energy: -22.619
Base-Backbone interact. energy: -0.022
local terms energy: -32.539629
where:
bonds (distance) C4'-P energy: -8.654
bonds (distance) P-C4' energy: -8.958
flat angles C4'-P-C4' energy: -8.202
flat angles P-C4'-P energy: -2.663
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: 9, replica: 7
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -55.061264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.061264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.061264 (E_RNA)
where:
Base-Base interactions energy: -18.695
where: short stacking energy: -17.666
Base-Backbone interact. energy: -0.096
local terms energy: -36.270533
where:
bonds (distance) C4'-P energy: -5.528
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -7.175
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -1.764
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: 4
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -54.406668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.406668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.406668 (E_RNA)
where:
Base-Base interactions energy: -23.953
where: short stacking energy: -5.375
Base-Backbone interact. energy: 0.820
local terms energy: -31.273411
where:
bonds (distance) C4'-P energy: -7.672
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -10.284
flat angles P-C4'-P energy: -3.610
tors. eta vs tors. theta energy: 3.180
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: 1, replica: 8
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -105.164020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.164020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.164020 (E_RNA)
where:
Base-Base interactions energy: -61.128
where: short stacking energy: -25.457
Base-Backbone interact. energy: -0.193
local terms energy: -43.842719
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -11.261
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -1.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -118.900812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.900812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.900812 (E_RNA)
where:
Base-Base interactions energy: -63.534
where: short stacking energy: -31.928
Base-Backbone interact. energy: -0.000
local terms energy: -55.366430
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -9.607
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -14.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -127.880804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.880804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.880804 (E_RNA)
where:
Base-Base interactions energy: -82.100
where: short stacking energy: -33.023
Base-Backbone interact. energy: -0.673
local terms energy: -45.108361
where:
bonds (distance) C4'-P energy: -7.790
bonds (distance) P-C4' energy: -11.045
flat angles C4'-P-C4' energy: -8.529
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -8.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -94.861977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.861977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.861977 (E_RNA)
where:
Base-Base interactions energy: -47.243
where: short stacking energy: -37.669
Base-Backbone interact. energy: -0.528
local terms energy: -47.091277
where:
bonds (distance) C4'-P energy: -9.026
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -9.499
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -7.070
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: 2
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -71.081094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.081094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.081094 (E_RNA)
where:
Base-Base interactions energy: -32.563
where: short stacking energy: -25.780
Base-Backbone interact. energy: 2.045
local terms energy: -40.563375
where:
bonds (distance) C4'-P energy: -11.563
bonds (distance) P-C4' energy: -9.849
flat angles C4'-P-C4' energy: -4.906
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -4.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -65.829113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.829113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.829113 (E_RNA)
where:
Base-Base interactions energy: -28.160
where: short stacking energy: -17.660
Base-Backbone interact. energy: -0.025
local terms energy: -37.643420
where:
bonds (distance) C4'-P energy: -10.230
bonds (distance) P-C4' energy: -11.367
flat angles C4'-P-C4' energy: -6.080
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -2.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -64.307493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.307493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.307493 (E_RNA)
where:
Base-Base interactions energy: -29.168
where: short stacking energy: -12.641
Base-Backbone interact. energy: 0.387
local terms energy: -35.526422
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -6.272
flat angles P-C4'-P energy: -3.552
tors. eta vs tors. theta energy: -2.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -60.198097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.198097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.198097 (E_RNA)
where:
Base-Base interactions energy: -28.345
where: short stacking energy: -20.270
Base-Backbone interact. energy: 0.053
local terms energy: -31.906021
where:
bonds (distance) C4'-P energy: -5.305
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -5.340
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -2.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -52.765786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.765786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.765786 (E_RNA)
where:
Base-Base interactions energy: -14.096
where: short stacking energy: -13.905
Base-Backbone interact. energy: -0.083
local terms energy: -38.587159
where:
bonds (distance) C4'-P energy: -9.622
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -10.180
flat angles P-C4'-P energy: -6.261
tors. eta vs tors. theta energy: -1.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -51.961557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.961557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.961557 (E_RNA)
where:
Base-Base interactions energy: -12.117
where: short stacking energy: -11.610
Base-Backbone interact. energy: -0.051
local terms energy: -39.794018
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -7.359
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -1.884
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: 8
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -120.562352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.562352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.562352 (E_RNA)
where:
Base-Base interactions energy: -70.217
where: short stacking energy: -38.941
Base-Backbone interact. energy: -0.417
local terms energy: -49.928417
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -9.953
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -6.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -102.598724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.598724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.598724 (E_RNA)
where:
Base-Base interactions energy: -52.471
where: short stacking energy: -30.443
Base-Backbone interact. energy: -0.012
local terms energy: -50.115560
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -8.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -109.614891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.614891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.614891 (E_RNA)
where:
Base-Base interactions energy: -73.973
where: short stacking energy: -28.749
Base-Backbone interact. energy: -0.081
local terms energy: -35.561164
where:
bonds (distance) C4'-P energy: -9.436
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -4.631
flat angles P-C4'-P energy: -4.895
tors. eta vs tors. theta energy: -4.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -76.999098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.999098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.999098 (E_RNA)
where:
Base-Base interactions energy: -36.433
where: short stacking energy: -14.845
Base-Backbone interact. energy: -0.302
local terms energy: -40.263486
where:
bonds (distance) C4'-P energy: -11.219
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -9.818
flat angles P-C4'-P energy: -2.547
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: 5, replica: 1
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -68.981819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.981819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.981819 (E_RNA)
where:
Base-Base interactions energy: -31.485
where: short stacking energy: -28.070
Base-Backbone interact. energy: -0.156
local terms energy: -37.340942
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -10.438
flat angles C4'-P-C4' energy: -8.170
flat angles P-C4'-P energy: -5.041
tors. eta vs tors. theta energy: -2.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -72.023010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.023010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.023010 (E_RNA)
where:
Base-Base interactions energy: -36.993
where: short stacking energy: -17.150
Base-Backbone interact. energy: -0.101
local terms energy: -34.928625
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -5.769
flat angles P-C4'-P energy: -5.211
tors. eta vs tors. theta energy: -2.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -62.096020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.096020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.096020 (E_RNA)
where:
Base-Base interactions energy: -27.099
where: short stacking energy: -17.742
Base-Backbone interact. energy: 0.078
local terms energy: -35.075257
where:
bonds (distance) C4'-P energy: -9.358
bonds (distance) P-C4' energy: -8.291
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: 0.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -60.354255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.354255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.354255 (E_RNA)
where:
Base-Base interactions energy: -22.292
where: short stacking energy: -22.292
Base-Backbone interact. energy: -0.100
local terms energy: -37.962857
where:
bonds (distance) C4'-P energy: -8.587
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -9.959
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: -0.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -56.905151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.905151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.905151 (E_RNA)
where:
Base-Base interactions energy: -18.971
where: short stacking energy: -13.977
Base-Backbone interact. energy: -0.966
local terms energy: -36.968414
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -6.983
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -0.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -57.809493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.809493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.809493 (E_RNA)
where:
Base-Base interactions energy: -18.345
where: short stacking energy: -11.237
Base-Backbone interact. energy: -0.017
local terms energy: -39.448299
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -3.589
tors. eta vs tors. theta energy: -0.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -121.972954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.972954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.972954 (E_RNA)
where:
Base-Base interactions energy: -76.580
where: short stacking energy: -33.110
Base-Backbone interact. energy: -0.028
local terms energy: -45.365606
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -10.640
flat angles C4'-P-C4' energy: -10.085
flat angles P-C4'-P energy: -5.422
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: 2, replica: 10
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -101.887943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.887943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.887943 (E_RNA)
where:
Base-Base interactions energy: -54.265
where: short stacking energy: -26.742
Base-Backbone interact. energy: -0.003
local terms energy: -47.620276
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -7.525
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: 3, replica: 9
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -107.159224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.159224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.159224 (E_RNA)
where:
Base-Base interactions energy: -62.901
where: short stacking energy: -31.673
Base-Backbone interact. energy: -0.718
local terms energy: -43.539592
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -6.037
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -7.805
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: 1
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -70.008354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.008354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.008354 (E_RNA)
where:
Base-Base interactions energy: -23.606
where: short stacking energy: -21.463
Base-Backbone interact. energy: -0.570
local terms energy: -45.833129
where:
bonds (distance) C4'-P energy: -10.835
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -2.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -75.041132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.041132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.041132 (E_RNA)
where:
Base-Base interactions energy: -28.055
where: short stacking energy: -20.642
Base-Backbone interact. energy: -0.010
local terms energy: -46.975856
where:
bonds (distance) C4'-P energy: -11.137
bonds (distance) P-C4' energy: -11.511
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -5.556
tors. eta vs tors. theta energy: -5.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -68.283784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.283784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.283784 (E_RNA)
where:
Base-Base interactions energy: -26.956
where: short stacking energy: -26.956
Base-Backbone interact. energy: -0.138
local terms energy: -41.189984
where:
bonds (distance) C4'-P energy: -8.616
bonds (distance) P-C4' energy: -6.909
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -6.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -60.169150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.169150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.169150 (E_RNA)
where:
Base-Base interactions energy: -27.124
where: short stacking energy: -14.358
Base-Backbone interact. energy: 1.144
local terms energy: -34.188751
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -10.288
flat angles C4'-P-C4' energy: -8.636
flat angles P-C4'-P energy: -4.585
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: 8, replica: 4
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -68.083219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.083219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.083219 (E_RNA)
where:
Base-Base interactions energy: -29.950
where: short stacking energy: -29.950
Base-Backbone interact. energy: -0.291
local terms energy: -37.842597
where:
bonds (distance) C4'-P energy: -6.124
bonds (distance) P-C4' energy: -10.232
flat angles C4'-P-C4' energy: -7.832
flat angles P-C4'-P energy: -5.263
tors. eta vs tors. theta energy: -8.392
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: 9, replica: 3
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -55.410870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.410870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.410870 (E_RNA)
where:
Base-Base interactions energy: -21.071
where: short stacking energy: -16.021
Base-Backbone interact. energy: -0.090
local terms energy: -34.249463
where:
bonds (distance) C4'-P energy: -9.713
bonds (distance) P-C4' energy: -10.480
flat angles C4'-P-C4' energy: -8.867
flat angles P-C4'-P energy: -5.581
tors. eta vs tors. theta energy: 0.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -51.493943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.493943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.493943 (E_RNA)
where:
Base-Base interactions energy: -25.630
where: short stacking energy: -13.197
Base-Backbone interact. energy: 1.825
local terms energy: -27.689216
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -4.815
flat angles C4'-P-C4' energy: -3.930
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: 0.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -109.572043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.572043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.572043 (E_RNA)
where:
Base-Base interactions energy: -61.715
where: short stacking energy: -31.757
Base-Backbone interact. energy: -0.231
local terms energy: -47.626096
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -10.574
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -4.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -112.493577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.493577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.493577 (E_RNA)
where:
Base-Base interactions energy: -71.786
where: short stacking energy: -28.966
Base-Backbone interact. energy: 0.410
local terms energy: -41.117435
where:
bonds (distance) C4'-P energy: -11.135
bonds (distance) P-C4' energy: -10.513
flat angles C4'-P-C4' energy: -8.768
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -1.678
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: 1
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -79.168193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.168193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.168193 (E_RNA)
where:
Base-Base interactions energy: -33.770
where: short stacking energy: -33.770
Base-Backbone interact. energy: -0.001
local terms energy: -45.397923
where:
bonds (distance) C4'-P energy: -8.083
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -11.524
flat angles P-C4'-P energy: -5.704
tors. eta vs tors. theta energy: -7.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -110.079121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.079121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.079121 (E_RNA)
where:
Base-Base interactions energy: -66.963
where: short stacking energy: -34.460
Base-Backbone interact. energy: -0.562
local terms energy: -42.554241
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -8.628
flat angles C4'-P-C4' energy: -10.398
flat angles P-C4'-P energy: -5.201
tors. eta vs tors. theta energy: -6.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -71.645866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.645866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.645866 (E_RNA)
where:
Base-Base interactions energy: -26.217
where: short stacking energy: -26.217
Base-Backbone interact. energy: -0.189
local terms energy: -45.240362
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -11.169
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -3.325
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: 6, replica: 7
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -67.347510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.347510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.347510 (E_RNA)
where:
Base-Base interactions energy: -26.479
where: short stacking energy: -20.418
Base-Backbone interact. energy: -0.170
local terms energy: -40.698650
where:
bonds (distance) C4'-P energy: -7.640
bonds (distance) P-C4' energy: -10.622
flat angles C4'-P-C4' energy: -10.019
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -4.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -67.897376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.897376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.897376 (E_RNA)
where:
Base-Base interactions energy: -34.142
where: short stacking energy: -22.192
Base-Backbone interact. energy: 0.249
local terms energy: -34.004512
where:
bonds (distance) C4'-P energy: -8.288
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -5.917
flat angles P-C4'-P energy: -6.069
tors. eta vs tors. theta energy: -0.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -65.789785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.789785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.789785 (E_RNA)
where:
Base-Base interactions energy: -34.510
where: short stacking energy: -25.599
Base-Backbone interact. energy: -0.770
local terms energy: -30.509755
where:
bonds (distance) C4'-P energy: -9.941
bonds (distance) P-C4' energy: -9.721
flat angles C4'-P-C4' energy: -9.438
flat angles P-C4'-P energy: 1.361
tors. eta vs tors. theta energy: -2.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -54.381257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.381257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.381257 (E_RNA)
where:
Base-Base interactions energy: -22.148
where: short stacking energy: -8.188
Base-Backbone interact. energy: -0.134
local terms energy: -32.099855
where:
bonds (distance) C4'-P energy: -7.540
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -8.392
flat angles P-C4'-P energy: -4.734
tors. eta vs tors. theta energy: 0.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -53.779923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.779923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.779923 (E_RNA)
where:
Base-Base interactions energy: -17.179
where: short stacking energy: -14.071
Base-Backbone interact. energy: -0.159
local terms energy: -36.442362
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -11.067
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -4.831
tors. eta vs tors. theta energy: 2.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -112.718082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.718082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.718082 (E_RNA)
where:
Base-Base interactions energy: -58.704
where: short stacking energy: -39.019
Base-Backbone interact. energy: -0.162
local terms energy: -53.852727
where:
bonds (distance) C4'-P energy: -10.164
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -9.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -120.780291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.780291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.780291 (E_RNA)
where:
Base-Base interactions energy: -79.000
where: short stacking energy: -32.155
Base-Backbone interact. energy: -0.143
local terms energy: -41.637137
where:
bonds (distance) C4'-P energy: -7.929
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -8.468
flat angles P-C4'-P energy: -6.056
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: 3, replica: 1
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -80.963240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.963240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.963240 (E_RNA)
where:
Base-Base interactions energy: -30.845
where: short stacking energy: -25.755
Base-Backbone interact. energy: -0.070
local terms energy: -50.048433
where:
bonds (distance) C4'-P energy: -10.860
bonds (distance) P-C4' energy: -13.344
flat angles C4'-P-C4' energy: -11.020
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -6.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -101.857639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.857639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.857639 (E_RNA)
where:
Base-Base interactions energy: -54.842
where: short stacking energy: -33.206
Base-Backbone interact. energy: -0.128
local terms energy: -46.887658
where:
bonds (distance) C4'-P energy: -9.296
bonds (distance) P-C4' energy: -10.200
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -6.218
tors. eta vs tors. theta energy: -7.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -73.540118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.540118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.540118 (E_RNA)
where:
Base-Base interactions energy: -35.186
where: short stacking energy: -27.400
Base-Backbone interact. energy: -0.006
local terms energy: -38.348062
where:
bonds (distance) C4'-P energy: -4.974
bonds (distance) P-C4' energy: -8.272
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -4.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -80.349055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.349055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.349055 (E_RNA)
where:
Base-Base interactions energy: -46.633
where: short stacking energy: -30.211
Base-Backbone interact. energy: -0.353
local terms energy: -33.362762
where:
bonds (distance) C4'-P energy: -5.587
bonds (distance) P-C4' energy: -9.866
flat angles C4'-P-C4' energy: -5.884
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -4.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -60.310620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.310620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.310620 (E_RNA)
where:
Base-Base interactions energy: -21.794
where: short stacking energy: -16.176
Base-Backbone interact. energy: -0.725
local terms energy: -37.791810
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -8.537
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: 0.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -66.509669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.509669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.509669 (E_RNA)
where:
Base-Base interactions energy: -22.566
where: short stacking energy: -20.258
Base-Backbone interact. energy: 0.580
local terms energy: -44.523916
where:
bonds (distance) C4'-P energy: -8.969
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -10.510
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -3.813
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: 9, replica: 2
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -61.602591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.602591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.602591 (E_RNA)
where:
Base-Base interactions energy: -17.131
where: short stacking energy: -14.830
Base-Backbone interact. energy: -2.272
local terms energy: -42.199160
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -9.449
flat angles C4'-P-C4' energy: -7.842
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -2.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -54.884344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.884344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.884344 (E_RNA)
where:
Base-Base interactions energy: -15.156
where: short stacking energy: -12.438
Base-Backbone interact. energy: -0.002
local terms energy: -39.726044
where:
bonds (distance) C4'-P energy: -9.446
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -10.939
flat angles P-C4'-P energy: -3.337
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: 1, replica: 10
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -118.065342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.065342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.065342 (E_RNA)
where:
Base-Base interactions energy: -73.502
where: short stacking energy: -35.083
Base-Backbone interact. energy: -0.590
local terms energy: -43.973110
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -9.379
flat angles C4'-P-C4' energy: -8.857
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -7.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -107.059927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.059927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.059927 (E_RNA)
where:
Base-Base interactions energy: -64.926
where: short stacking energy: -31.484
Base-Backbone interact. energy: -0.009
local terms energy: -42.125106
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -11.401
flat angles C4'-P-C4' energy: -9.150
flat angles P-C4'-P energy: -7.118
tors. eta vs tors. theta energy: -3.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -97.516620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.516620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.516620 (E_RNA)
where:
Base-Base interactions energy: -45.554
where: short stacking energy: -30.474
Base-Backbone interact. energy: -0.162
local terms energy: -51.801105
where:
bonds (distance) C4'-P energy: -10.653
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -10.254
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -9.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -70.015540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.015540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.015540 (E_RNA)
where:
Base-Base interactions energy: -26.761
where: short stacking energy: -26.612
Base-Backbone interact. energy: -0.146
local terms energy: -43.108356
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -5.183
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -5.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -69.319622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.319622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.319622 (E_RNA)
where:
Base-Base interactions energy: -29.724
where: short stacking energy: -24.718
Base-Backbone interact. energy: -0.118
local terms energy: -39.477643
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -10.235
flat angles C4'-P-C4' energy: -8.716
flat angles P-C4'-P energy: -5.201
tors. eta vs tors. theta energy: -4.437
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: 112
Temperature: 1.150000
Total energy: -63.419716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.419716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.419716 (E_RNA)
where:
Base-Base interactions energy: -25.296
where: short stacking energy: -22.016
Base-Backbone interact. energy: -0.116
local terms energy: -38.007380
where:
bonds (distance) C4'-P energy: -7.835
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -5.790
tors. eta vs tors. theta energy: -2.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -67.186077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.186077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.186077 (E_RNA)
where:
Base-Base interactions energy: -29.479
where: short stacking energy: -29.282
Base-Backbone interact. energy: -0.856
local terms energy: -36.850858
where:
bonds (distance) C4'-P energy: -10.612
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -8.762
flat angles P-C4'-P energy: -3.363
tors. eta vs tors. theta energy: -2.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -66.405505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.405505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.405505 (E_RNA)
where:
Base-Base interactions energy: -27.837
where: short stacking energy: -12.513
Base-Backbone interact. energy: -0.127
local terms energy: -38.441975
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -7.391
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -8.737
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: 9, replica: 2
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -65.853126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.853126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.853126 (E_RNA)
where:
Base-Base interactions energy: -26.257
where: short stacking energy: -19.244
Base-Backbone interact. energy: -1.192
local terms energy: -38.403741
where:
bonds (distance) C4'-P energy: -7.233
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -10.084
flat angles P-C4'-P energy: -5.479
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: 3
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -59.407523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.407523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.407523 (E_RNA)
where:
Base-Base interactions energy: -22.219
where: short stacking energy: -19.370
Base-Backbone interact. energy: -0.038
local terms energy: -37.150807
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -6.556
flat angles P-C4'-P energy: -6.128
tors. eta vs tors. theta energy: -1.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -103.726008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.726008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.726008 (E_RNA)
where:
Base-Base interactions energy: -57.508
where: short stacking energy: -22.993
Base-Backbone interact. energy: -0.064
local terms energy: -46.154097
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -12.963
flat angles C4'-P-C4' energy: -10.328
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: -4.286
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: 113
Temperature: 0.950000
Total energy: -106.067746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.067746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.067746 (E_RNA)
where:
Base-Base interactions energy: -61.365
where: short stacking energy: -22.492
Base-Backbone interact. energy: -0.047
local terms energy: -44.655826
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -9.749
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -4.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -101.682842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.682842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.682842 (E_RNA)
where:
Base-Base interactions energy: -60.422
where: short stacking energy: -28.235
Base-Backbone interact. energy: -0.217
local terms energy: -41.044022
where:
bonds (distance) C4'-P energy: -9.378
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -7.627
flat angles P-C4'-P energy: -5.295
tors. eta vs tors. theta energy: -6.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -70.787998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.787998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.787998 (E_RNA)
where:
Base-Base interactions energy: -28.709
where: short stacking energy: -28.054
Base-Backbone interact. energy: 1.655
local terms energy: -43.734293
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -9.995
flat angles C4'-P-C4' energy: -10.733
flat angles P-C4'-P energy: -6.267
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: 5, replica: 1
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -72.095825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.095825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.095825 (E_RNA)
where:
Base-Base interactions energy: -27.633
where: short stacking energy: -18.574
Base-Backbone interact. energy: -0.188
local terms energy: -44.274922
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -10.617
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -4.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -63.076670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.076670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.076670 (E_RNA)
where:
Base-Base interactions energy: -25.345
where: short stacking energy: -17.891
Base-Backbone interact. energy: -0.023
local terms energy: -37.708357
where:
bonds (distance) C4'-P energy: -9.957
bonds (distance) P-C4' energy: -6.958
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -6.153
tors. eta vs tors. theta energy: -2.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -69.004647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.004647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.004647 (E_RNA)
where:
Base-Base interactions energy: -25.431
where: short stacking energy: -25.395
Base-Backbone interact. energy: -0.013
local terms energy: -43.560262
where:
bonds (distance) C4'-P energy: -7.221
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -10.468
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -6.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -59.193056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.193056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.193056 (E_RNA)
where:
Base-Base interactions energy: -18.442
where: short stacking energy: -15.286
Base-Backbone interact. energy: -0.822
local terms energy: -39.928564
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -11.634
flat angles C4'-P-C4' energy: -9.995
flat angles P-C4'-P energy: -4.401
tors. eta vs tors. theta energy: -2.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -62.474654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.474654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.474654 (E_RNA)
where:
Base-Base interactions energy: -27.017
where: short stacking energy: -16.637
Base-Backbone interact. energy: -0.879
local terms energy: -34.578532
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -7.887
flat angles C4'-P-C4' energy: -9.338
flat angles P-C4'-P energy: -5.049
tors. eta vs tors. theta energy: -0.459
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: 10, replica: 3
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -53.090190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.090190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.090190 (E_RNA)
where:
Base-Base interactions energy: -20.696
where: short stacking energy: -14.136
Base-Backbone interact. energy: 0.128
local terms energy: -32.522358
where:
bonds (distance) C4'-P energy: -9.229
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -2.176
flat angles P-C4'-P energy: -5.674
tors. eta vs tors. theta energy: -2.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -113.434788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.434788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.434788 (E_RNA)
where:
Base-Base interactions energy: -72.739
where: short stacking energy: -22.714
Base-Backbone interact. energy: -0.210
local terms energy: -40.485807
where:
bonds (distance) C4'-P energy: -9.838
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -9.445
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -3.126
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: 114
Temperature: 0.950000
Total energy: -96.877743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.877743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.877743 (E_RNA)
where:
Base-Base interactions energy: -51.299
where: short stacking energy: -21.784
Base-Backbone interact. energy: -0.485
local terms energy: -45.093458
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -10.158
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -8.147
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: 3, replica: 9
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -87.012634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.012634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.012634 (E_RNA)
where:
Base-Base interactions energy: -47.670
where: short stacking energy: -22.389
Base-Backbone interact. energy: 0.530
local terms energy: -39.872526
where:
bonds (distance) C4'-P energy: -10.135
bonds (distance) P-C4' energy: -9.569
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -5.561
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: 4, replica: 4
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -73.627363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.627363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.627363 (E_RNA)
where:
Base-Base interactions energy: -26.394
where: short stacking energy: -26.394
Base-Backbone interact. energy: -0.004
local terms energy: -47.229397
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -10.016
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -6.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -82.692818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.692818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.692818 (E_RNA)
where:
Base-Base interactions energy: -38.509
where: short stacking energy: -18.611
Base-Backbone interact. energy: -0.156
local terms energy: -44.027992
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -10.157
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -1.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -60.498841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.498841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.498841 (E_RNA)
where:
Base-Base interactions energy: -23.805
where: short stacking energy: -17.873
Base-Backbone interact. energy: 0.053
local terms energy: -36.746926
where:
bonds (distance) C4'-P energy: -9.450
bonds (distance) P-C4' energy: -10.985
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -3.597
tors. eta vs tors. theta energy: -0.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -59.180561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.180561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.180561 (E_RNA)
where:
Base-Base interactions energy: -19.289
where: short stacking energy: -19.289
Base-Backbone interact. energy: -0.132
local terms energy: -39.759534
where:
bonds (distance) C4'-P energy: -9.673
bonds (distance) P-C4' energy: -8.597
flat angles C4'-P-C4' energy: -8.776
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -4.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -62.605993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.605993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.605993 (E_RNA)
where:
Base-Base interactions energy: -28.870
where: short stacking energy: -23.501
Base-Backbone interact. energy: -0.027
local terms energy: -33.708828
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -9.035
flat angles C4'-P-C4' energy: -4.813
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -0.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -68.728080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.728080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.728080 (E_RNA)
where:
Base-Base interactions energy: -26.880
where: short stacking energy: -24.737
Base-Backbone interact. energy: -0.171
local terms energy: -41.676933
where:
bonds (distance) C4'-P energy: -8.351
bonds (distance) P-C4' energy: -9.022
flat angles C4'-P-C4' energy: -10.005
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -7.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -61.075478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.075478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.075478 (E_RNA)
where:
Base-Base interactions energy: -29.813
where: short stacking energy: -19.368
Base-Backbone interact. energy: -0.124
local terms energy: -31.138388
where:
bonds (distance) C4'-P energy: -3.352
bonds (distance) P-C4' energy: -9.099
flat angles C4'-P-C4' energy: -5.545
flat angles P-C4'-P energy: -6.471
tors. eta vs tors. theta energy: -6.672
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: 1, replica: 8
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -112.803838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.803838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.803838 (E_RNA)
where:
Base-Base interactions energy: -66.531
where: short stacking energy: -40.448
Base-Backbone interact. energy: 0.059
local terms energy: -46.331923
where:
bonds (distance) C4'-P energy: -7.565
bonds (distance) P-C4' energy: -9.778
flat angles C4'-P-C4' energy: -10.447
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -10.705
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: 9
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -94.675148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.675148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.675148 (E_RNA)
where:
Base-Base interactions energy: -53.374
where: short stacking energy: -30.740
Base-Backbone interact. energy: 0.844
local terms energy: -42.144794
where:
bonds (distance) C4'-P energy: -10.165
bonds (distance) P-C4' energy: -10.659
flat angles C4'-P-C4' energy: -8.652
flat angles P-C4'-P energy: -5.747
tors. eta vs tors. theta energy: -6.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -105.876672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.876672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.876672 (E_RNA)
where:
Base-Base interactions energy: -65.938
where: short stacking energy: -30.521
Base-Backbone interact. energy: -0.130
local terms energy: -39.808644
where:
bonds (distance) C4'-P energy: -7.235
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -7.729
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -2.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -78.968139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.968139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.968139 (E_RNA)
where:
Base-Base interactions energy: -33.665
where: short stacking energy: -29.401
Base-Backbone interact. energy: -0.043
local terms energy: -45.259678
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -10.189
flat angles C4'-P-C4' energy: -9.589
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -5.280
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: 5, replica: 4
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -64.914531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.914531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.914531 (E_RNA)
where:
Base-Base interactions energy: -26.984
where: short stacking energy: -17.009
Base-Backbone interact. energy: -0.046
local terms energy: -37.884268
where:
bonds (distance) C4'-P energy: -7.539
bonds (distance) P-C4' energy: -9.896
flat angles C4'-P-C4' energy: -9.776
flat angles P-C4'-P energy: -7.043
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: 6, replica: 2
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -70.491320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.491320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.491320 (E_RNA)
where:
Base-Base interactions energy: -30.052
where: short stacking energy: -25.098
Base-Backbone interact. energy: 0.468
local terms energy: -40.907073
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -8.739
flat angles C4'-P-C4' energy: -8.567
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -5.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -67.693606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.693606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.693606 (E_RNA)
where:
Base-Base interactions energy: -32.730
where: short stacking energy: -30.211
Base-Backbone interact. energy: -0.001
local terms energy: -34.962655
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -9.097
flat angles C4'-P-C4' energy: -4.950
flat angles P-C4'-P energy: -5.651
tors. eta vs tors. theta energy: -5.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -70.567530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.567530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.567530 (E_RNA)
where:
Base-Base interactions energy: -36.732
where: short stacking energy: -22.644
Base-Backbone interact. energy: -0.145
local terms energy: -33.690826
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -10.507
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -2.972
tors. eta vs tors. theta energy: 1.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -55.772528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.772528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.772528 (E_RNA)
where:
Base-Base interactions energy: -20.333
where: short stacking energy: -17.040
Base-Backbone interact. energy: -0.149
local terms energy: -35.291053
where:
bonds (distance) C4'-P energy: -9.686
bonds (distance) P-C4' energy: -6.791
flat angles C4'-P-C4' energy: -10.285
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: 0.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -59.576289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.576289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.576289 (E_RNA)
where:
Base-Base interactions energy: -21.665
where: short stacking energy: -15.985
Base-Backbone interact. energy: -0.001
local terms energy: -37.910816
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -8.075
flat angles P-C4'-P energy: -4.913
tors. eta vs tors. theta energy: -1.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -118.781706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.781706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.781706 (E_RNA)
where:
Base-Base interactions energy: -71.486
where: short stacking energy: -38.536
Base-Backbone interact. energy: -0.011
local terms energy: -47.284508
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -9.081
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -9.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -108.573271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.573271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.573271 (E_RNA)
where:
Base-Base interactions energy: -67.718
where: short stacking energy: -33.224
Base-Backbone interact. energy: -0.044
local terms energy: -40.810939
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -10.655
flat angles C4'-P-C4' energy: -7.924
flat angles P-C4'-P energy: -5.645
tors. eta vs tors. theta energy: -5.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -94.454235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.454235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.454235 (E_RNA)
where:
Base-Base interactions energy: -44.789
where: short stacking energy: -23.081
Base-Backbone interact. energy: -0.752
local terms energy: -48.914075
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -5.329
tors. eta vs tors. theta energy: -7.155
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: 5
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -77.535348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.535348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.535348 (E_RNA)
where:
Base-Base interactions energy: -33.803
where: short stacking energy: -33.270
Base-Backbone interact. energy: -0.250
local terms energy: -43.482520
where:
bonds (distance) C4'-P energy: -5.810
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -6.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -65.885949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.885949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.885949 (E_RNA)
where:
Base-Base interactions energy: -28.246
where: short stacking energy: -24.789
Base-Backbone interact. energy: 0.586
local terms energy: -38.226597
where:
bonds (distance) C4'-P energy: -8.301
bonds (distance) P-C4' energy: -10.185
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -3.711
tors. eta vs tors. theta energy: -4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -67.041339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.041339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.041339 (E_RNA)
where:
Base-Base interactions energy: -26.790
where: short stacking energy: -22.967
Base-Backbone interact. energy: -0.102
local terms energy: -40.149284
where:
bonds (distance) C4'-P energy: -8.656
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -8.056
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -2.387
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: 1
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -68.868784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.868784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.868784 (E_RNA)
where:
Base-Base interactions energy: -24.384
where: short stacking energy: -24.384
Base-Backbone interact. energy: -0.046
local terms energy: -44.438499
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -10.446
flat angles C4'-P-C4' energy: -10.058
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -5.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -58.335674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.335674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.335674 (E_RNA)
where:
Base-Base interactions energy: -21.658
where: short stacking energy: -16.806
Base-Backbone interact. energy: -0.549
local terms energy: -36.129097
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -5.342
tors. eta vs tors. theta energy: 0.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -51.670382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.670382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.670382 (E_RNA)
where:
Base-Base interactions energy: -23.111
where: short stacking energy: -22.854
Base-Backbone interact. energy: 0.010
local terms energy: -28.569518
where:
bonds (distance) C4'-P energy: -6.706
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -9.937
flat angles P-C4'-P energy: -3.188
tors. eta vs tors. theta energy: 1.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -58.051574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.051574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.051574 (E_RNA)
where:
Base-Base interactions energy: -18.758
where: short stacking energy: -12.246
Base-Backbone interact. energy: -0.246
local terms energy: -39.047600
where:
bonds (distance) C4'-P energy: -8.603
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -8.263
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -0.226
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: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -126.807636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.807636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.807636 (E_RNA)
where:
Base-Base interactions energy: -77.365
where: short stacking energy: -40.175
Base-Backbone interact. energy: 0.272
local terms energy: -49.715039
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -10.030
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: -12.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -94.737774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.737774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.737774 (E_RNA)
where:
Base-Base interactions energy: -52.498
where: short stacking energy: -38.664
Base-Backbone interact. energy: -0.867
local terms energy: -41.372920
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -7.506
flat angles C4'-P-C4' energy: -10.451
flat angles P-C4'-P energy: -3.838
tors. eta vs tors. theta energy: -7.889
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: 10
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -92.093731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.093731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.093731 (E_RNA)
where:
Base-Base interactions energy: -50.008
where: short stacking energy: -21.916
Base-Backbone interact. energy: -0.114
local terms energy: -41.971896
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -6.769
tors. eta vs tors. theta energy: -2.758
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: 4, replica: 2
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -76.288049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.288049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.288049 (E_RNA)
where:
Base-Base interactions energy: -37.689
where: short stacking energy: -20.203
Base-Backbone interact. energy: -0.073
local terms energy: -38.526044
where:
bonds (distance) C4'-P energy: -8.642
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -9.878
flat angles P-C4'-P energy: -3.689
tors. eta vs tors. theta energy: -5.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -72.644574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.644574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.644574 (E_RNA)
where:
Base-Base interactions energy: -28.127
where: short stacking energy: -27.114
Base-Backbone interact. energy: -0.211
local terms energy: -44.306532
where:
bonds (distance) C4'-P energy: -9.114
bonds (distance) P-C4' energy: -7.597
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -6.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -74.638039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.638039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.638039 (E_RNA)
where:
Base-Base interactions energy: -31.139
where: short stacking energy: -26.601
Base-Backbone interact. energy: -0.048
local terms energy: -43.450434
where:
bonds (distance) C4'-P energy: -6.307
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -9.909
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -5.883
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: 4
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -64.977275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.977275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.977275 (E_RNA)
where:
Base-Base interactions energy: -27.388
where: short stacking energy: -18.762
Base-Backbone interact. energy: -0.357
local terms energy: -37.232296
where:
bonds (distance) C4'-P energy: -7.529
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -10.652
flat angles P-C4'-P energy: -3.070
tors. eta vs tors. theta energy: -3.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -60.972015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.972015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.972015 (E_RNA)
where:
Base-Base interactions energy: -22.836
where: short stacking energy: -22.836
Base-Backbone interact. energy: -0.086
local terms energy: -38.050014
where:
bonds (distance) C4'-P energy: -9.632
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -8.064
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -1.266
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: 3
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -61.865659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.865659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.865659 (E_RNA)
where:
Base-Base interactions energy: -25.020
where: short stacking energy: -15.700
Base-Backbone interact. energy: -0.001
local terms energy: -36.844536
where:
bonds (distance) C4'-P energy: -9.652
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -6.660
flat angles P-C4'-P energy: -4.700
tors. eta vs tors. theta energy: -4.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -55.700868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.700868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.700868 (E_RNA)
where:
Base-Base interactions energy: -21.650
where: short stacking energy: -15.357
Base-Backbone interact. energy: -0.134
local terms energy: -33.916829
where:
bonds (distance) C4'-P energy: -8.211
bonds (distance) P-C4' energy: -10.718
flat angles C4'-P-C4' energy: -5.677
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -1.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -124.336973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.336973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.336973 (E_RNA)
where:
Base-Base interactions energy: -74.440
where: short stacking energy: -39.729
Base-Backbone interact. energy: 0.273
local terms energy: -50.169439
where:
bonds (distance) C4'-P energy: -9.671
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -8.092
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -13.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -106.631253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.631253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.631253 (E_RNA)
where:
Base-Base interactions energy: -59.527
where: short stacking energy: -37.255
Base-Backbone interact. energy: -0.015
local terms energy: -47.089299
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -8.837
flat angles C4'-P-C4' energy: -10.101
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -9.672
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: 2
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -106.017738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.017738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.017738 (E_RNA)
where:
Base-Base interactions energy: -68.642
where: short stacking energy: -31.340
Base-Backbone interact. energy: -0.280
local terms energy: -37.095917
where:
bonds (distance) C4'-P energy: -8.973
bonds (distance) P-C4' energy: -5.832
flat angles C4'-P-C4' energy: -10.677
flat angles P-C4'-P energy: -5.454
tors. eta vs tors. theta energy: -6.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -74.289614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.289614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.289614 (E_RNA)
where:
Base-Base interactions energy: -35.132
where: short stacking energy: -12.198
Base-Backbone interact. energy: -0.177
local terms energy: -38.980573
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -10.865
flat angles C4'-P-C4' energy: -9.300
flat angles P-C4'-P energy: -4.966
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: 5, replica: 5
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -70.371619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.371619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.371619 (E_RNA)
where:
Base-Base interactions energy: -32.493
where: short stacking energy: -16.553
Base-Backbone interact. energy: -0.032
local terms energy: -37.846661
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -7.233
flat angles C4'-P-C4' energy: -6.955
flat angles P-C4'-P energy: -5.795
tors. eta vs tors. theta energy: -5.554
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: 1
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -66.804161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.804161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.804161 (E_RNA)
where:
Base-Base interactions energy: -23.093
where: short stacking energy: -14.766
Base-Backbone interact. energy: -0.653
local terms energy: -43.058102
where:
bonds (distance) C4'-P energy: -11.021
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -5.057
tors. eta vs tors. theta energy: -4.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -61.924101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.924101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.924101 (E_RNA)
where:
Base-Base interactions energy: -21.622
where: short stacking energy: -14.930
Base-Backbone interact. energy: -0.049
local terms energy: -40.252788
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -10.774
flat angles C4'-P-C4' energy: -10.283
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -0.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -62.012345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.012345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.012345 (E_RNA)
where:
Base-Base interactions energy: -26.775
where: short stacking energy: -20.529
Base-Backbone interact. energy: -0.094
local terms energy: -35.144188
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -9.674
flat angles C4'-P-C4' energy: -8.953
flat angles P-C4'-P energy: -7.120
tors. eta vs tors. theta energy: 0.852
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: 3
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -58.041538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.041538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.041538 (E_RNA)
where:
Base-Base interactions energy: -25.555
where: short stacking energy: -14.124
Base-Backbone interact. energy: -0.383
local terms energy: -32.103839
where:
bonds (distance) C4'-P energy: -2.836
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -9.754
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: 0.099
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: 10, replica: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -63.856654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.856654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.856654 (E_RNA)
where:
Base-Base interactions energy: -21.122
where: short stacking energy: -18.823
Base-Backbone interact. energy: -0.008
local terms energy: -42.726942
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -12.741
flat angles C4'-P-C4' energy: -9.837
flat angles P-C4'-P energy: -4.404
tors. eta vs tors. theta energy: -3.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -108.076226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.076226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.076226 (E_RNA)
where:
Base-Base interactions energy: -60.707
where: short stacking energy: -31.837
Base-Backbone interact. energy: -0.016
local terms energy: -47.353444
where:
bonds (distance) C4'-P energy: -9.457
bonds (distance) P-C4' energy: -11.126
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -8.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -110.036887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.036887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.036887 (E_RNA)
where:
Base-Base interactions energy: -64.925
where: short stacking energy: -25.091
Base-Backbone interact. energy: 0.142
local terms energy: -45.254192
where:
bonds (distance) C4'-P energy: -8.778
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -9.319
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -6.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -100.197891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.197891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.197891 (E_RNA)
where:
Base-Base interactions energy: -50.810
where: short stacking energy: -39.048
Base-Backbone interact. energy: -0.009
local terms energy: -49.378707
where:
bonds (distance) C4'-P energy: -9.250
bonds (distance) P-C4' energy: -10.474
flat angles C4'-P-C4' energy: -9.779
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -12.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -68.946405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.946405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.946405 (E_RNA)
where:
Base-Base interactions energy: -25.992
where: short stacking energy: -21.485
Base-Backbone interact. energy: -0.540
local terms energy: -42.414458
where:
bonds (distance) C4'-P energy: -9.937
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -1.964
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: 5, replica: 10
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -73.052693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.052693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.052693 (E_RNA)
where:
Base-Base interactions energy: -31.394
where: short stacking energy: -20.647
Base-Backbone interact. energy: -0.068
local terms energy: -41.591223
where:
bonds (distance) C4'-P energy: -10.198
bonds (distance) P-C4' energy: -10.842
flat angles C4'-P-C4' energy: -7.463
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -2.539
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: 6, replica: 7
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -68.770404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.770404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.770404 (E_RNA)
where:
Base-Base interactions energy: -30.689
where: short stacking energy: -17.663
Base-Backbone interact. energy: -1.287
local terms energy: -36.794856
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -8.804
flat angles P-C4'-P energy: -5.556
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: 7, replica: 1
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -63.278114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.278114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.278114 (E_RNA)
where:
Base-Base interactions energy: -16.225
where: short stacking energy: -15.955
Base-Backbone interact. energy: 0.529
local terms energy: -47.581898
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -9.997
flat angles P-C4'-P energy: -8.629
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: 8, replica: 3
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -57.245596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.245596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.245596 (E_RNA)
where:
Base-Base interactions energy: -24.151
where: short stacking energy: -10.064
Base-Backbone interact. energy: -0.503
local terms energy: -32.591843
where:
bonds (distance) C4'-P energy: -7.821
bonds (distance) P-C4' energy: -7.406
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: 1.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -57.926196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.926196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.926196 (E_RNA)
where:
Base-Base interactions energy: -19.362
where: short stacking energy: -19.362
Base-Backbone interact. energy: -0.830
local terms energy: -37.734653
where:
bonds (distance) C4'-P energy: -9.150
bonds (distance) P-C4' energy: -9.552
flat angles C4'-P-C4' energy: -9.984
flat angles P-C4'-P energy: -5.623
tors. eta vs tors. theta energy: -3.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -55.345376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.345376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.345376 (E_RNA)
where:
Base-Base interactions energy: -15.542
where: short stacking energy: -15.542
Base-Backbone interact. energy: -0.151
local terms energy: -39.652343
where:
bonds (distance) C4'-P energy: -7.462
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -10.128
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -3.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -118.208630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.208630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.208630 (E_RNA)
where:
Base-Base interactions energy: -71.262
where: short stacking energy: -33.652
Base-Backbone interact. energy: -0.054
local terms energy: -46.893336
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -10.364
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -6.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -96.714106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.714106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.714106 (E_RNA)
where:
Base-Base interactions energy: -47.407
where: short stacking energy: -37.060
Base-Backbone interact. energy: -0.173
local terms energy: -49.133397
where:
bonds (distance) C4'-P energy: -10.168
bonds (distance) P-C4' energy: -11.269
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -8.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -98.939250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.939250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.939250 (E_RNA)
where:
Base-Base interactions energy: -53.820
where: short stacking energy: -41.894
Base-Backbone interact. energy: -0.004
local terms energy: -45.115519
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -9.784
flat angles C4'-P-C4' energy: -7.856
flat angles P-C4'-P energy: -3.885
tors. eta vs tors. theta energy: -11.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -79.876785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.876785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.876785 (E_RNA)
where:
Base-Base interactions energy: -35.898
where: short stacking energy: -23.600
Base-Backbone interact. energy: -0.059
local terms energy: -43.919791
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -10.359
flat angles C4'-P-C4' energy: -9.020
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -2.090
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: 5, replica: 7
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -78.727570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.727570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.727570 (E_RNA)
where:
Base-Base interactions energy: -33.609
where: short stacking energy: -21.395
Base-Backbone interact. energy: -0.052
local terms energy: -45.066455
where:
bonds (distance) C4'-P energy: -9.920
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -3.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -66.183309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.183309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.183309 (E_RNA)
where:
Base-Base interactions energy: -25.769
where: short stacking energy: -16.822
Base-Backbone interact. energy: -0.530
local terms energy: -39.883341
where:
bonds (distance) C4'-P energy: -7.474
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -10.733
flat angles P-C4'-P energy: -6.461
tors. eta vs tors. theta energy: -3.010
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: 3
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -75.869366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.869366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.869366 (E_RNA)
where:
Base-Base interactions energy: -40.932
where: short stacking energy: -28.341
Base-Backbone interact. energy: -0.002
local terms energy: -34.935926
where:
bonds (distance) C4'-P energy: -7.966
bonds (distance) P-C4' energy: -9.852
flat angles C4'-P-C4' energy: -11.075
flat angles P-C4'-P energy: -1.569
tors. eta vs tors. theta energy: -4.474
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: 1
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -65.261038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.261038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.261038 (E_RNA)
where:
Base-Base interactions energy: -23.297
where: short stacking energy: -23.297
Base-Backbone interact. energy: -0.171
local terms energy: -41.793098
where:
bonds (distance) C4'-P energy: -10.247
bonds (distance) P-C4' energy: -10.238
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -1.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -61.865601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.865601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.865601 (E_RNA)
where:
Base-Base interactions energy: -22.540
where: short stacking energy: -15.004
Base-Backbone interact. energy: -0.282
local terms energy: -39.043642
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -9.311
flat angles P-C4'-P energy: -5.356
tors. eta vs tors. theta energy: 0.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -57.690965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.690965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.690965 (E_RNA)
where:
Base-Base interactions energy: -19.900
where: short stacking energy: -16.298
Base-Backbone interact. energy: -0.120
local terms energy: -37.671882
where:
bonds (distance) C4'-P energy: -8.990
bonds (distance) P-C4' energy: -8.384
flat angles C4'-P-C4' energy: -9.682
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -1.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -127.681112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.681112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.681112 (E_RNA)
where:
Base-Base interactions energy: -80.282
where: short stacking energy: -36.155
Base-Backbone interact. energy: -0.135
local terms energy: -47.264000
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -9.129
flat angles C4'-P-C4' energy: -9.524
flat angles P-C4'-P energy: -6.116
tors. eta vs tors. theta energy: -10.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -115.891069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.891069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.891069 (E_RNA)
where:
Base-Base interactions energy: -70.113
where: short stacking energy: -40.201
Base-Backbone interact. energy: -0.001
local terms energy: -45.776342
where:
bonds (distance) C4'-P energy: -8.471
bonds (distance) P-C4' energy: -10.567
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -5.607
tors. eta vs tors. theta energy: -8.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -76.033500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.033500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.033500 (E_RNA)
where:
Base-Base interactions energy: -33.369
where: short stacking energy: -23.124
Base-Backbone interact. energy: -0.139
local terms energy: -42.524992
where:
bonds (distance) C4'-P energy: -9.937
bonds (distance) P-C4' energy: -9.054
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -6.551
tors. eta vs tors. theta energy: -4.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -80.696161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.696161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.696161 (E_RNA)
where:
Base-Base interactions energy: -34.691
where: short stacking energy: -26.297
Base-Backbone interact. energy: -0.066
local terms energy: -45.939189
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -7.968
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -6.030
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: 5
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -66.345502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.345502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.345502 (E_RNA)
where:
Base-Base interactions energy: -28.900
where: short stacking energy: -23.592
Base-Backbone interact. energy: -0.001
local terms energy: -37.444811
where:
bonds (distance) C4'-P energy: -9.187
bonds (distance) P-C4' energy: -10.474
flat angles C4'-P-C4' energy: -6.703
flat angles P-C4'-P energy: -4.218
tors. eta vs tors. theta energy: -6.863
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: 3
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -70.059874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.059874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.059874 (E_RNA)
where:
Base-Base interactions energy: -22.922
where: short stacking energy: -22.922
Base-Backbone interact. energy: -0.001
local terms energy: -47.137389
where:
bonds (distance) C4'-P energy: -5.709
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -6.870
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: 7, replica: 10
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -61.060290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.060290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.060290 (E_RNA)
where:
Base-Base interactions energy: -21.013
where: short stacking energy: -13.424
Base-Backbone interact. energy: -1.100
local terms energy: -38.947324
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -10.131
flat angles C4'-P-C4' energy: -8.601
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -0.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -56.518260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.518260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.518260 (E_RNA)
where:
Base-Base interactions energy: -22.531
where: short stacking energy: -10.297
Base-Backbone interact. energy: -0.118
local terms energy: -33.869586
where:
bonds (distance) C4'-P energy: -9.159
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -6.854
flat angles P-C4'-P energy: -6.040
tors. eta vs tors. theta energy: 0.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -63.231314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.231314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.231314 (E_RNA)
where:
Base-Base interactions energy: -25.178
where: short stacking energy: -21.179
Base-Backbone interact. energy: -0.195
local terms energy: -37.858976
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -10.080
flat angles C4'-P-C4' energy: -7.857
flat angles P-C4'-P energy: -7.212
tors. eta vs tors. theta energy: -1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -52.584024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.584024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.584024 (E_RNA)
where:
Base-Base interactions energy: -22.276
where: short stacking energy: -21.224
Base-Backbone interact. energy: -0.022
local terms energy: -30.285215
where:
bonds (distance) C4'-P energy: -8.592
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -7.410
flat angles P-C4'-P energy: -1.777
tors. eta vs tors. theta energy: -1.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -126.198787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.198787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.198787 (E_RNA)
where:
Base-Base interactions energy: -81.809
where: short stacking energy: -34.961
Base-Backbone interact. energy: -0.076
local terms energy: -44.314289
where:
bonds (distance) C4'-P energy: -9.101
bonds (distance) P-C4' energy: -11.765
flat angles C4'-P-C4' energy: -10.356
flat angles P-C4'-P energy: -5.382
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: 2, replica: 9
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -105.703136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.703136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.703136 (E_RNA)
where:
Base-Base interactions energy: -53.607
where: short stacking energy: -25.924
Base-Backbone interact. energy: -0.001
local terms energy: -52.095300
where:
bonds (distance) C4'-P energy: -8.651
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -11.220
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: 7
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -82.363296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.363296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.363296 (E_RNA)
where:
Base-Base interactions energy: -39.167
where: short stacking energy: -32.694
Base-Backbone interact. energy: -0.003
local terms energy: -43.193608
where:
bonds (distance) C4'-P energy: -7.374
bonds (distance) P-C4' energy: -11.300
flat angles C4'-P-C4' energy: -10.834
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -7.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -81.543231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.543231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.543231 (E_RNA)
where:
Base-Base interactions energy: -38.005
where: short stacking energy: -24.380
Base-Backbone interact. energy: -0.080
local terms energy: -43.458555
where:
bonds (distance) C4'-P energy: -9.160
bonds (distance) P-C4' energy: -11.600
flat angles C4'-P-C4' energy: -10.958
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -5.406
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: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -83.887455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.887455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.887455 (E_RNA)
where:
Base-Base interactions energy: -35.939
where: short stacking energy: -35.288
Base-Backbone interact. energy: -0.000
local terms energy: -47.947652
where:
bonds (distance) C4'-P energy: -4.436
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -12.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -78.944305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.944305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.944305 (E_RNA)
where:
Base-Base interactions energy: -33.411
where: short stacking energy: -29.944
Base-Backbone interact. energy: -0.000
local terms energy: -45.532864
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -4.485
tors. eta vs tors. theta energy: -7.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -74.236005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.236005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.236005 (E_RNA)
where:
Base-Base interactions energy: -27.985
where: short stacking energy: -27.378
Base-Backbone interact. energy: -0.602
local terms energy: -45.648288
where:
bonds (distance) C4'-P energy: -8.820
bonds (distance) P-C4' energy: -9.331
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -7.458
tors. eta vs tors. theta energy: -8.327
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: 10
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -54.166018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.166018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.166018 (E_RNA)
where:
Base-Base interactions energy: -19.671
where: short stacking energy: -11.765
Base-Backbone interact. energy: -0.231
local terms energy: -34.264104
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -8.464
flat angles C4'-P-C4' energy: -7.071
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: 1.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -55.591517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.591517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.591517 (E_RNA)
where:
Base-Base interactions energy: -18.454
where: short stacking energy: -18.454
Base-Backbone interact. energy: -0.063
local terms energy: -37.074084
where:
bonds (distance) C4'-P energy: -9.652
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -7.723
flat angles P-C4'-P energy: -6.218
tors. eta vs tors. theta energy: -1.506
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: 10, replica: 1
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -54.768853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.768853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.768853 (E_RNA)
where:
Base-Base interactions energy: -18.661
where: short stacking energy: -18.661
Base-Backbone interact. energy: -0.977
local terms energy: -35.130712
where:
bonds (distance) C4'-P energy: -9.479
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -7.077
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -0.697
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: 8
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -110.394658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.394658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.394658 (E_RNA)
where:
Base-Base interactions energy: -70.287
where: short stacking energy: -24.328
Base-Backbone interact. energy: -0.008
local terms energy: -40.099859
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -6.568
flat angles P-C4'-P energy: -4.738
tors. eta vs tors. theta energy: -6.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -106.350039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.350039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.350039 (E_RNA)
where:
Base-Base interactions energy: -63.223
where: short stacking energy: -24.091
Base-Backbone interact. energy: -0.676
local terms energy: -42.450975
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -10.151
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -3.337
tors. eta vs tors. theta energy: -6.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -95.176838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.176838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.176838 (E_RNA)
where:
Base-Base interactions energy: -51.293
where: short stacking energy: -36.683
Base-Backbone interact. energy: -0.002
local terms energy: -43.882531
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -6.224
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -7.421
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: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -91.010952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.010952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.010952 (E_RNA)
where:
Base-Base interactions energy: -46.930
where: short stacking energy: -28.156
Base-Backbone interact. energy: -0.007
local terms energy: -44.074535
where:
bonds (distance) C4'-P energy: -8.443
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -8.941
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -7.212
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: 2
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -67.982206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.982206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.982206 (E_RNA)
where:
Base-Base interactions energy: -28.071
where: short stacking energy: -21.876
Base-Backbone interact. energy: -0.024
local terms energy: -39.886435
where:
bonds (distance) C4'-P energy: -7.401
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -8.921
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -2.452
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: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -73.086641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.086641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.086641 (E_RNA)
where:
Base-Base interactions energy: -35.285
where: short stacking energy: -21.483
Base-Backbone interact. energy: -0.166
local terms energy: -37.635329
where:
bonds (distance) C4'-P energy: -9.381
bonds (distance) P-C4' energy: -9.144
flat angles C4'-P-C4' energy: -9.960
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -2.122
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: 5
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -64.247178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.247178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.247178 (E_RNA)
where:
Base-Base interactions energy: -31.188
where: short stacking energy: -20.652
Base-Backbone interact. energy: -0.053
local terms energy: -33.006142
where:
bonds (distance) C4'-P energy: -5.558
bonds (distance) P-C4' energy: -8.101
flat angles C4'-P-C4' energy: -9.503
flat angles P-C4'-P energy: -6.933
tors. eta vs tors. theta energy: -2.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -60.419886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.419886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.419886 (E_RNA)
where:
Base-Base interactions energy: -27.890
where: short stacking energy: -15.880
Base-Backbone interact. energy: -0.073
local terms energy: -32.456744
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -10.545
flat angles C4'-P-C4' energy: -5.007
flat angles P-C4'-P energy: -5.627
tors. eta vs tors. theta energy: -1.126
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: 4
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -53.880146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.880146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.880146 (E_RNA)
where:
Base-Base interactions energy: -16.461
where: short stacking energy: -16.461
Base-Backbone interact. energy: -0.228
local terms energy: -37.191083
where:
bonds (distance) C4'-P energy: -6.624
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -10.022
flat angles P-C4'-P energy: -5.806
tors. eta vs tors. theta energy: -2.418
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: 1
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -71.916751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.916751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.916751 (E_RNA)
where:
Base-Base interactions energy: -31.626
where: short stacking energy: -20.540
Base-Backbone interact. energy: -0.105
local terms energy: -40.185737
where:
bonds (distance) C4'-P energy: -8.864
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -1.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -99.291769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.291769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.291769 (E_RNA)
where:
Base-Base interactions energy: -53.722
where: short stacking energy: -25.046
Base-Backbone interact. energy: -0.063
local terms energy: -45.507445
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -7.416
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: 2, replica: 8
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -103.929945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.929945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.929945 (E_RNA)
where:
Base-Base interactions energy: -61.573
where: short stacking energy: -23.956
Base-Backbone interact. energy: 0.179
local terms energy: -42.535969
where:
bonds (distance) C4'-P energy: -9.539
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -10.958
flat angles P-C4'-P energy: -5.780
tors. eta vs tors. theta energy: -4.121
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: 7
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -85.717655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.717655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.717655 (E_RNA)
where:
Base-Base interactions energy: -37.192
where: short stacking energy: -19.643
Base-Backbone interact. energy: -0.521
local terms energy: -48.004390
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -10.169
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -5.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -66.838798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.838798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.838798 (E_RNA)
where:
Base-Base interactions energy: -26.656
where: short stacking energy: -25.935
Base-Backbone interact. energy: -0.010
local terms energy: -40.172752
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -9.093
flat angles C4'-P-C4' energy: -10.232
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -3.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -67.820924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.820924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.820924 (E_RNA)
where:
Base-Base interactions energy: -32.020
where: short stacking energy: -20.312
Base-Backbone interact. energy: -0.318
local terms energy: -35.482392
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -9.967
flat angles C4'-P-C4' energy: -7.231
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: 1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -63.700261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.700261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.700261 (E_RNA)
where:
Base-Base interactions energy: -26.574
where: short stacking energy: -24.818
Base-Backbone interact. energy: -0.009
local terms energy: -37.117210
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -5.643
flat angles P-C4'-P energy: -5.113
tors. eta vs tors. theta energy: -3.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -55.794804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.794804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.794804 (E_RNA)
where:
Base-Base interactions energy: -17.506
where: short stacking energy: -17.472
Base-Backbone interact. energy: -0.162
local terms energy: -38.127416
where:
bonds (distance) C4'-P energy: -7.282
bonds (distance) P-C4' energy: -9.760
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -2.546
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: 5
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -60.282915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.282915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.282915 (E_RNA)
where:
Base-Base interactions energy: -24.088
where: short stacking energy: -19.515
Base-Backbone interact. energy: 0.771
local terms energy: -36.965436
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -6.477
flat angles P-C4'-P energy: -5.808
tors. eta vs tors. theta energy: -1.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -58.717673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.717673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.717673 (E_RNA)
where:
Base-Base interactions energy: -13.426
where: short stacking energy: -13.426
Base-Backbone interact. energy: -0.009
local terms energy: -45.282470
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -10.809
flat angles C4'-P-C4' energy: -10.385
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -5.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -62.164795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.164795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.164795 (E_RNA)
where:
Base-Base interactions energy: -24.434
where: short stacking energy: -17.572
Base-Backbone interact. energy: -0.235
local terms energy: -37.495720
where:
bonds (distance) C4'-P energy: -7.345
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -9.147
flat angles P-C4'-P energy: -5.769
tors. eta vs tors. theta energy: -1.967
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: 125
Temperature: 0.900000
Total energy: -131.328890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.328890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.328890 (E_RNA)
where:
Base-Base interactions energy: -85.711
where: short stacking energy: -38.318
Base-Backbone interact. energy: -0.002
local terms energy: -45.615607
where:
bonds (distance) C4'-P energy: -4.780
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -6.116
tors. eta vs tors. theta energy: -12.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -84.868319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.868319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.868319 (E_RNA)
where:
Base-Base interactions energy: -35.314
where: short stacking energy: -24.103
Base-Backbone interact. energy: -0.013
local terms energy: -49.541164
where:
bonds (distance) C4'-P energy: -10.644
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -5.944
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: 3, replica: 8
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -115.107522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.107522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.107522 (E_RNA)
where:
Base-Base interactions energy: -79.031
where: short stacking energy: -22.410
Base-Backbone interact. energy: -0.087
local terms energy: -35.989538
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -8.787
flat angles C4'-P-C4' energy: -9.028
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: 1.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -75.084377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.084377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.084377 (E_RNA)
where:
Base-Base interactions energy: -42.030
where: short stacking energy: -22.450
Base-Backbone interact. energy: -0.051
local terms energy: -33.003559
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -9.695
flat angles C4'-P-C4' energy: -6.409
flat angles P-C4'-P energy: -7.371
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: 5, replica: 3
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -86.011573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.011573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.011573 (E_RNA)
where:
Base-Base interactions energy: -36.564
where: short stacking energy: -29.170
Base-Backbone interact. energy: -0.000
local terms energy: -49.447351
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -8.653
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: -11.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -59.933480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.933480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.933480 (E_RNA)
where:
Base-Base interactions energy: -21.022
where: short stacking energy: -19.934
Base-Backbone interact. energy: -0.229
local terms energy: -38.682166
where:
bonds (distance) C4'-P energy: -8.285
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -9.386
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: -0.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -64.379485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.379485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.379485 (E_RNA)
where:
Base-Base interactions energy: -21.902
where: short stacking energy: -16.090
Base-Backbone interact. energy: -0.173
local terms energy: -42.304116
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -5.616
tors. eta vs tors. theta energy: -2.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -58.049245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.049245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.049245 (E_RNA)
where:
Base-Base interactions energy: -21.253
where: short stacking energy: -13.013
Base-Backbone interact. energy: 0.017
local terms energy: -36.813644
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -7.702
flat angles C4'-P-C4' energy: -8.000
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -0.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -61.943878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.943878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.943878 (E_RNA)
where:
Base-Base interactions energy: -31.261
where: short stacking energy: -22.887
Base-Backbone interact. energy: -0.800
local terms energy: -29.882274
where:
bonds (distance) C4'-P energy: -4.679
bonds (distance) P-C4' energy: -9.775
flat angles C4'-P-C4' energy: -10.671
flat angles P-C4'-P energy: -3.085
tors. eta vs tors. theta energy: -1.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -55.127314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.127314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.127314 (E_RNA)
where:
Base-Base interactions energy: -15.575
where: short stacking energy: -8.458
Base-Backbone interact. energy: 0.274
local terms energy: -39.826508
where:
bonds (distance) C4'-P energy: -6.741
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: 2.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -130.401276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.401276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.401276 (E_RNA)
where:
Base-Base interactions energy: -80.861
where: short stacking energy: -40.432
Base-Backbone interact. energy: -0.003
local terms energy: -49.537991
where:
bonds (distance) C4'-P energy: -6.347
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -10.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -96.623409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.623409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.623409 (E_RNA)
where:
Base-Base interactions energy: -51.560
where: short stacking energy: -27.774
Base-Backbone interact. energy: -0.853
local terms energy: -44.210594
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -7.090
flat angles P-C4'-P energy: -7.682
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: 3, replica: 8
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -97.721087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.721087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.721087 (E_RNA)
where:
Base-Base interactions energy: -54.398
where: short stacking energy: -26.755
Base-Backbone interact. energy: -0.002
local terms energy: -43.320642
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -8.904
flat angles P-C4'-P energy: -4.293
tors. eta vs tors. theta energy: -6.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -86.519245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.519245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.519245 (E_RNA)
where:
Base-Base interactions energy: -44.024
where: short stacking energy: -29.068
Base-Backbone interact. energy: -0.091
local terms energy: -42.404646
where:
bonds (distance) C4'-P energy: -8.091
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -9.193
flat angles P-C4'-P energy: -5.693
tors. eta vs tors. theta energy: -6.557
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: 3
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -75.392035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.392035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.392035 (E_RNA)
where:
Base-Base interactions energy: -36.845
where: short stacking energy: -30.568
Base-Backbone interact. energy: -0.003
local terms energy: -38.543196
where:
bonds (distance) C4'-P energy: -7.745
bonds (distance) P-C4' energy: -9.686
flat angles C4'-P-C4' energy: -7.760
flat angles P-C4'-P energy: -6.777
tors. eta vs tors. theta energy: -6.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -62.144038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.144038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.144038 (E_RNA)
where:
Base-Base interactions energy: -27.740
where: short stacking energy: -24.421
Base-Backbone interact. energy: -0.102
local terms energy: -34.302315
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -0.947
tors. eta vs tors. theta energy: 0.980
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: 1
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -58.649020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.649020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.649020 (E_RNA)
where:
Base-Base interactions energy: -23.179
where: short stacking energy: -23.179
Base-Backbone interact. energy: -0.002
local terms energy: -35.467757
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -6.787
flat angles C4'-P-C4' energy: -9.100
flat angles P-C4'-P energy: -5.479
tors. eta vs tors. theta energy: -4.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -60.544266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.544266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.544266 (E_RNA)
where:
Base-Base interactions energy: -20.070
where: short stacking energy: -16.014
Base-Backbone interact. energy: -0.061
local terms energy: -40.413473
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -4.298
tors. eta vs tors. theta energy: -2.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -61.198039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.198039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.198039 (E_RNA)
where:
Base-Base interactions energy: -18.398
where: short stacking energy: -15.148
Base-Backbone interact. energy: -0.076
local terms energy: -42.723862
where:
bonds (distance) C4'-P energy: -9.694
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -4.829
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: 10, replica: 5
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -57.717475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.717475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.717475 (E_RNA)
where:
Base-Base interactions energy: -19.956
where: short stacking energy: -18.785
Base-Backbone interact. energy: -0.005
local terms energy: -37.756892
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -4.290
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -5.570
tors. eta vs tors. theta energy: -4.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -122.037989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.037989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.037989 (E_RNA)
where:
Base-Base interactions energy: -73.444
where: short stacking energy: -30.366
Base-Backbone interact. energy: -0.372
local terms energy: -48.222337
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -8.640
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -6.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -97.786108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.786108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.786108 (E_RNA)
where:
Base-Base interactions energy: -55.573
where: short stacking energy: -30.293
Base-Backbone interact. energy: -0.102
local terms energy: -42.111212
where:
bonds (distance) C4'-P energy: -9.399
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -3.019
tors. eta vs tors. theta energy: -5.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -104.530546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.530546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.530546 (E_RNA)
where:
Base-Base interactions energy: -52.823
where: short stacking energy: -38.450
Base-Backbone interact. energy: -0.052
local terms energy: -51.655832
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -8.943
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -8.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -88.780655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.780655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.780655 (E_RNA)
where:
Base-Base interactions energy: -47.166
where: short stacking energy: -23.060
Base-Backbone interact. energy: -0.081
local terms energy: -41.534132
where:
bonds (distance) C4'-P energy: -7.863
bonds (distance) P-C4' energy: -9.520
flat angles C4'-P-C4' energy: -10.479
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -5.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -84.487317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.487317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.487317 (E_RNA)
where:
Base-Base interactions energy: -43.544
where: short stacking energy: -26.409
Base-Backbone interact. energy: 2.084
local terms energy: -43.028225
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -10.482
flat angles C4'-P-C4' energy: -7.939
flat angles P-C4'-P energy: -7.126
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: 6, replica: 10
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -75.113199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.113199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.113199 (E_RNA)
where:
Base-Base interactions energy: -30.160
where: short stacking energy: -20.681
Base-Backbone interact. energy: -1.930
local terms energy: -43.022645
where:
bonds (distance) C4'-P energy: -8.282
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -2.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -65.657936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.657936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.657936 (E_RNA)
where:
Base-Base interactions energy: -35.601
where: short stacking energy: -12.027
Base-Backbone interact. energy: -0.201
local terms energy: -29.856172
where:
bonds (distance) C4'-P energy: -9.545
bonds (distance) P-C4' energy: -5.610
flat angles C4'-P-C4' energy: -7.416
flat angles P-C4'-P energy: -3.709
tors. eta vs tors. theta energy: -3.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -59.110914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.110914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.110914 (E_RNA)
where:
Base-Base interactions energy: -26.211
where: short stacking energy: -17.971
Base-Backbone interact. energy: -0.083
local terms energy: -32.816697
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -3.779
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: 2.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -53.350492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.350492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.350492 (E_RNA)
where:
Base-Base interactions energy: -17.897
where: short stacking energy: -16.180
Base-Backbone interact. energy: -0.033
local terms energy: -35.420866
where:
bonds (distance) C4'-P energy: -10.612
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -6.716
flat angles P-C4'-P energy: -3.244
tors. eta vs tors. theta energy: -1.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -58.248259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.248259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.248259 (E_RNA)
where:
Base-Base interactions energy: -20.113
where: short stacking energy: -15.120
Base-Backbone interact. energy: -0.051
local terms energy: -38.083926
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -6.049
flat angles C4'-P-C4' energy: -5.941
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -5.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -120.870954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.870954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.870954 (E_RNA)
where:
Base-Base interactions energy: -66.924
where: short stacking energy: -30.915
Base-Backbone interact. energy: -0.566
local terms energy: -53.380902
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -6.319
tors. eta vs tors. theta energy: -9.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -90.267412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.267412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.267412 (E_RNA)
where:
Base-Base interactions energy: -43.337
where: short stacking energy: -27.170
Base-Backbone interact. energy: -0.001
local terms energy: -46.929174
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -8.597
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -6.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -99.130100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.130100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.130100 (E_RNA)
where:
Base-Base interactions energy: -47.754
where: short stacking energy: -33.217
Base-Backbone interact. energy: -0.400
local terms energy: -50.976151
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -10.569
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -8.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -89.405486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.405486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.405486 (E_RNA)
where:
Base-Base interactions energy: -45.107
where: short stacking energy: -31.879
Base-Backbone interact. energy: -0.001
local terms energy: -44.297183
where:
bonds (distance) C4'-P energy: -7.458
bonds (distance) P-C4' energy: -10.650
flat angles C4'-P-C4' energy: -10.128
flat angles P-C4'-P energy: -6.720
tors. eta vs tors. theta energy: -9.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -85.903581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.903581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.903581 (E_RNA)
where:
Base-Base interactions energy: -42.112
where: short stacking energy: -24.564
Base-Backbone interact. energy: -0.034
local terms energy: -43.757171
where:
bonds (distance) C4'-P energy: -9.129
bonds (distance) P-C4' energy: -10.701
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -5.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -77.782647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.782647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.782647 (E_RNA)
where:
Base-Base interactions energy: -43.189
where: short stacking energy: -10.826
Base-Backbone interact. energy: -0.094
local terms energy: -34.499466
where:
bonds (distance) C4'-P energy: -8.195
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -9.780
flat angles P-C4'-P energy: -5.511
tors. eta vs tors. theta energy: 2.055
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: 4
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -58.357364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.357364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.357364 (E_RNA)
where:
Base-Base interactions energy: -25.616
where: short stacking energy: -16.148
Base-Backbone interact. energy: 1.251
local terms energy: -33.991766
where:
bonds (distance) C4'-P energy: -5.528
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -8.778
flat angles P-C4'-P energy: -5.335
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: 8, replica: 1
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -78.798897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.798897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.798897 (E_RNA)
where:
Base-Base interactions energy: -42.740
where: short stacking energy: -27.752
Base-Backbone interact. energy: -0.023
local terms energy: -36.036025
where:
bonds (distance) C4'-P energy: -6.326
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -10.055
flat angles P-C4'-P energy: -3.722
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: 9, replica: 5
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -60.077528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.077528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.077528 (E_RNA)
where:
Base-Base interactions energy: -25.252
where: short stacking energy: -25.252
Base-Backbone interact. energy: -0.033
local terms energy: -34.792136
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -10.521
flat angles C4'-P-C4' energy: -5.924
flat angles P-C4'-P energy: -5.771
tors. eta vs tors. theta energy: -2.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -58.524666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.524666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.524666 (E_RNA)
where:
Base-Base interactions energy: -23.198
where: short stacking energy: -17.369
Base-Backbone interact. energy: 0.677
local terms energy: -36.002904
where:
bonds (distance) C4'-P energy: -8.790
bonds (distance) P-C4' energy: -9.296
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: 0.095
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: 129
Temperature: 0.900000
Total energy: -134.303555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.303555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.303555 (E_RNA)
where:
Base-Base interactions energy: -79.422
where: short stacking energy: -39.597
Base-Backbone interact. energy: -0.395
local terms energy: -54.485753
where:
bonds (distance) C4'-P energy: -11.439
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -9.554
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -13.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -96.725676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.725676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.725676 (E_RNA)
where:
Base-Base interactions energy: -48.726
where: short stacking energy: -33.647
Base-Backbone interact. energy: -0.538
local terms energy: -47.461805
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -6.399
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: 3, replica: 7
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -76.306839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.306839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.306839 (E_RNA)
where:
Base-Base interactions energy: -30.752
where: short stacking energy: -30.367
Base-Backbone interact. energy: -0.027
local terms energy: -45.528235
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -11.830
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -5.013
tors. eta vs tors. theta energy: -5.410
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: 8
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -87.237940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.237940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.237940 (E_RNA)
where:
Base-Base interactions energy: -44.684
where: short stacking energy: -20.912
Base-Backbone interact. energy: -0.140
local terms energy: -42.414190
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -10.137
flat angles P-C4'-P energy: -8.389
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: 5, replica: 3
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -66.840832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.840832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.840832 (E_RNA)
where:
Base-Base interactions energy: -23.735
where: short stacking energy: -16.923
Base-Backbone interact. energy: 0.212
local terms energy: -43.318156
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -6.653
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: 6, replica: 10
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -82.855433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.855433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.855433 (E_RNA)
where:
Base-Base interactions energy: -47.817
where: short stacking energy: -18.918
Base-Backbone interact. energy: -0.733
local terms energy: -34.305294
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -8.179
flat angles C4'-P-C4' energy: -8.657
flat angles P-C4'-P energy: -3.230
tors. eta vs tors. theta energy: -2.815
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: 4
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -75.438110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.438110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.438110 (E_RNA)
where:
Base-Base interactions energy: -37.021
where: short stacking energy: -26.703
Base-Backbone interact. energy: -0.063
local terms energy: -38.354787
where:
bonds (distance) C4'-P energy: -9.750
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -7.576
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: 0.627
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: 5
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -60.755819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.755819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.755819 (E_RNA)
where:
Base-Base interactions energy: -24.706
where: short stacking energy: -16.478
Base-Backbone interact. energy: 0.887
local terms energy: -36.937641
where:
bonds (distance) C4'-P energy: -9.228
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -7.264
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: -0.772
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: 1
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -67.705076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.705076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.705076 (E_RNA)
where:
Base-Base interactions energy: -31.940
where: short stacking energy: -23.688
Base-Backbone interact. energy: -0.101
local terms energy: -35.663399
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -9.646
flat angles C4'-P-C4' energy: -9.521
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: 0.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -60.385013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.385013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.385013 (E_RNA)
where:
Base-Base interactions energy: -32.849
where: short stacking energy: -22.441
Base-Backbone interact. energy: -0.057
local terms energy: -27.479301
where:
bonds (distance) C4'-P energy: -8.037
bonds (distance) P-C4' energy: -2.632
flat angles C4'-P-C4' energy: -7.347
flat angles P-C4'-P energy: -7.916
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: 130
Temperature: 0.900000
Total energy: -135.472136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.472136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.472136 (E_RNA)
where:
Base-Base interactions energy: -81.917
where: short stacking energy: -38.411
Base-Backbone interact. energy: -0.368
local terms energy: -53.187085
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -10.657
flat angles P-C4'-P energy: -7.115
tors. eta vs tors. theta energy: -10.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -100.281228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.281228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.281228 (E_RNA)
where:
Base-Base interactions energy: -51.001
where: short stacking energy: -28.538
Base-Backbone interact. energy: 0.798
local terms energy: -50.078236
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -9.464
flat angles P-C4'-P energy: -6.074
tors. eta vs tors. theta energy: -10.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -111.430931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.430931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.430931 (E_RNA)
where:
Base-Base interactions energy: -60.882
where: short stacking energy: -34.848
Base-Backbone interact. energy: -0.260
local terms energy: -50.288670
where:
bonds (distance) C4'-P energy: -8.716
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -10.945
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -9.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -68.640245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.640245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.640245 (E_RNA)
where:
Base-Base interactions energy: -36.941
where: short stacking energy: -25.305
Base-Backbone interact. energy: -0.057
local terms energy: -31.642213
where:
bonds (distance) C4'-P energy: -8.600
bonds (distance) P-C4' energy: -8.492
flat angles C4'-P-C4' energy: -8.046
flat angles P-C4'-P energy: -3.064
tors. eta vs tors. theta energy: -3.441
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: 10
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -96.426027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.426027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.426027 (E_RNA)
where:
Base-Base interactions energy: -53.179
where: short stacking energy: -26.590
Base-Backbone interact. energy: 1.276
local terms energy: -44.522992
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -9.101
flat angles P-C4'-P energy: -5.835
tors. eta vs tors. theta energy: -8.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -66.925427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.925427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.925427 (E_RNA)
where:
Base-Base interactions energy: -28.057
where: short stacking energy: -15.045
Base-Backbone interact. energy: -0.373
local terms energy: -38.494842
where:
bonds (distance) C4'-P energy: -7.932
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: 1.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -58.281297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.281297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.281297 (E_RNA)
where:
Base-Base interactions energy: -18.644
where: short stacking energy: -12.169
Base-Backbone interact. energy: -0.051
local terms energy: -39.586260
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -9.886
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -5.896
tors. eta vs tors. theta energy: -3.134
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: 8, replica: 4
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -61.105259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.105259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.105259 (E_RNA)
where:
Base-Base interactions energy: -22.696
where: short stacking energy: -20.053
Base-Backbone interact. energy: -0.072
local terms energy: -38.337387
where:
bonds (distance) C4'-P energy: -7.018
bonds (distance) P-C4' energy: -8.795
flat angles C4'-P-C4' energy: -10.783
flat angles P-C4'-P energy: -6.212
tors. eta vs tors. theta energy: -5.530
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: 130
Temperature: 1.300000
Total energy: -56.972518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.972518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.972518 (E_RNA)
where:
Base-Base interactions energy: -27.424
where: short stacking energy: -10.297
Base-Backbone interact. energy: -0.174
local terms energy: -29.374769
where:
bonds (distance) C4'-P energy: -6.195
bonds (distance) P-C4' energy: -10.511
flat angles C4'-P-C4' energy: -8.975
flat angles P-C4'-P energy: -4.254
tors. eta vs tors. theta energy: 0.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -56.527052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.527052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.527052 (E_RNA)
where:
Base-Base interactions energy: -17.501
where: short stacking energy: -17.501
Base-Backbone interact. energy: -0.038
local terms energy: -38.987994
where:
bonds (distance) C4'-P energy: -7.685
bonds (distance) P-C4' energy: -9.253
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -0.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -141.897965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.897965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.897965 (E_RNA)
where:
Base-Base interactions energy: -89.702
where: short stacking energy: -47.099
Base-Backbone interact. energy: -0.000
local terms energy: -52.195375
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -10.383
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -11.223
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: 8
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -110.872174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.872174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.872174 (E_RNA)
where:
Base-Base interactions energy: -64.442
where: short stacking energy: -38.140
Base-Backbone interact. energy: -0.026
local terms energy: -46.403998
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -8.459
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -7.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -112.848967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.848967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.848967 (E_RNA)
where:
Base-Base interactions energy: -72.707
where: short stacking energy: -33.631
Base-Backbone interact. energy: 0.357
local terms energy: -40.498724
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -9.634
flat angles P-C4'-P energy: -3.926
tors. eta vs tors. theta energy: -5.573
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: 10
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -71.082925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.082925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.082925 (E_RNA)
where:
Base-Base interactions energy: -31.137
where: short stacking energy: -13.783
Base-Backbone interact. energy: -0.370
local terms energy: -39.575547
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -8.374
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -5.518
tors. eta vs tors. theta energy: -3.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -73.307122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.307122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.307122 (E_RNA)
where:
Base-Base interactions energy: -36.137
where: short stacking energy: -28.376
Base-Backbone interact. energy: -0.019
local terms energy: -37.150527
where:
bonds (distance) C4'-P energy: -9.626
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -9.016
flat angles P-C4'-P energy: -5.240
tors. eta vs tors. theta energy: -0.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -70.345203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.345203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.345203 (E_RNA)
where:
Base-Base interactions energy: -27.723
where: short stacking energy: -27.598
Base-Backbone interact. energy: -0.069
local terms energy: -42.552268
where:
bonds (distance) C4'-P energy: -7.752
bonds (distance) P-C4' energy: -9.579
flat angles C4'-P-C4' energy: -11.132
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -7.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -60.814142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.814142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.814142 (E_RNA)
where:
Base-Base interactions energy: -25.709
where: short stacking energy: -14.952
Base-Backbone interact. energy: -0.163
local terms energy: -34.941626
where:
bonds (distance) C4'-P energy: -8.170
bonds (distance) P-C4' energy: -8.101
flat angles C4'-P-C4' energy: -9.391
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -63.167550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.167550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.167550 (E_RNA)
where:
Base-Base interactions energy: -18.050
where: short stacking energy: -14.842
Base-Backbone interact. energy: -0.821
local terms energy: -44.296541
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -10.542
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -3.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -56.244378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.244378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.244378 (E_RNA)
where:
Base-Base interactions energy: -20.420
where: short stacking energy: -17.620
Base-Backbone interact. energy: -0.699
local terms energy: -35.124976
where:
bonds (distance) C4'-P energy: -7.222
bonds (distance) P-C4' energy: -9.621
flat angles C4'-P-C4' energy: -10.431
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: -1.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -61.262965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.262965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.262965 (E_RNA)
where:
Base-Base interactions energy: -22.704
where: short stacking energy: -18.573
Base-Backbone interact. energy: -0.007
local terms energy: -38.551649
where:
bonds (distance) C4'-P energy: -7.792
bonds (distance) P-C4' energy: -8.651
flat angles C4'-P-C4' energy: -9.847
flat angles P-C4'-P energy: -5.503
tors. eta vs tors. theta energy: -6.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -124.197015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.197015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.197015 (E_RNA)
where:
Base-Base interactions energy: -78.961
where: short stacking energy: -35.563
Base-Backbone interact. energy: 0.263
local terms energy: -45.498679
where:
bonds (distance) C4'-P energy: -9.690
bonds (distance) P-C4' energy: -8.036
flat angles C4'-P-C4' energy: -9.002
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -10.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -112.024871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.024871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.024871 (E_RNA)
where:
Base-Base interactions energy: -63.192
where: short stacking energy: -27.415
Base-Backbone interact. energy: -0.132
local terms energy: -48.701439
where:
bonds (distance) C4'-P energy: -8.902
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -7.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -85.928738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.928738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.928738 (E_RNA)
where:
Base-Base interactions energy: -37.720
where: short stacking energy: -24.940
Base-Backbone interact. energy: -0.207
local terms energy: -48.001746
where:
bonds (distance) C4'-P energy: -8.505
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -7.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -88.797511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.797511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.797511 (E_RNA)
where:
Base-Base interactions energy: -45.193
where: short stacking energy: -31.813
Base-Backbone interact. energy: -0.591
local terms energy: -43.013905
where:
bonds (distance) C4'-P energy: -10.140
bonds (distance) P-C4' energy: -10.330
flat angles C4'-P-C4' energy: -8.943
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -6.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -66.571378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.571378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.571378 (E_RNA)
where:
Base-Base interactions energy: -23.214
where: short stacking energy: -23.214
Base-Backbone interact. energy: -0.038
local terms energy: -43.318784
where:
bonds (distance) C4'-P energy: -9.553
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -4.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -67.068417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.068417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.068417 (E_RNA)
where:
Base-Base interactions energy: -27.855
where: short stacking energy: -25.388
Base-Backbone interact. energy: 1.030
local terms energy: -40.243058
where:
bonds (distance) C4'-P energy: -9.366
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -4.366
tors. eta vs tors. theta energy: -2.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -80.633085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.633085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.633085 (E_RNA)
where:
Base-Base interactions energy: -30.474
where: short stacking energy: -18.029
Base-Backbone interact. energy: -0.030
local terms energy: -50.128992
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -12.727
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -5.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -63.151224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.151224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.151224 (E_RNA)
where:
Base-Base interactions energy: -21.847
where: short stacking energy: -21.847
Base-Backbone interact. energy: -0.203
local terms energy: -41.101517
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -1.508
tors. eta vs tors. theta energy: -3.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -54.531438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.531438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.531438 (E_RNA)
where:
Base-Base interactions energy: -22.344
where: short stacking energy: -15.858
Base-Backbone interact. energy: -0.099
local terms energy: -32.088792
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -9.151
flat angles C4'-P-C4' energy: -8.624
flat angles P-C4'-P energy: -4.140
tors. eta vs tors. theta energy: 0.886
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: 10, replica: 2
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -69.083672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.083672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.083672 (E_RNA)
where:
Base-Base interactions energy: -35.069
where: short stacking energy: -22.030
Base-Backbone interact. energy: -0.232
local terms energy: -33.782538
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -0.587
flat angles P-C4'-P energy: -2.204
tors. eta vs tors. theta energy: -7.252
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: 1, replica: 9
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -134.837214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.837214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.837214 (E_RNA)
where:
Base-Base interactions energy: -86.023
where: short stacking energy: -41.885
Base-Backbone interact. energy: 0.098
local terms energy: -48.911967
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -10.489
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -4.736
tors. eta vs tors. theta energy: -10.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -118.815114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.815114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.815114 (E_RNA)
where:
Base-Base interactions energy: -69.094
where: short stacking energy: -29.952
Base-Backbone interact. energy: 1.101
local terms energy: -50.821630
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -10.796
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -3.573
tors. eta vs tors. theta energy: -10.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -88.831017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.831017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.831017 (E_RNA)
where:
Base-Base interactions energy: -44.117
where: short stacking energy: -31.602
Base-Backbone interact. energy: 1.214
local terms energy: -45.927733
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -10.724
flat angles C4'-P-C4' energy: -10.650
flat angles P-C4'-P energy: -5.143
tors. eta vs tors. theta energy: -7.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -87.423146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.423146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.423146 (E_RNA)
where:
Base-Base interactions energy: -38.689
where: short stacking energy: -26.973
Base-Backbone interact. energy: -0.112
local terms energy: -48.621859
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -9.234
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -6.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -70.592120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.592120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.592120 (E_RNA)
where:
Base-Base interactions energy: -29.590
where: short stacking energy: -20.046
Base-Backbone interact. energy: 0.241
local terms energy: -41.242659
where:
bonds (distance) C4'-P energy: -9.449
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -9.295
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -64.574130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.574130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.574130 (E_RNA)
where:
Base-Base interactions energy: -29.277
where: short stacking energy: -7.836
Base-Backbone interact. energy: -0.024
local terms energy: -35.273464
where:
bonds (distance) C4'-P energy: -8.997
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -4.902
tors. eta vs tors. theta energy: 1.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -66.165573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.165573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.165573 (E_RNA)
where:
Base-Base interactions energy: -24.519
where: short stacking energy: -23.250
Base-Backbone interact. energy: 2.690
local terms energy: -44.336555
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -8.773
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -3.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -55.852838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.852838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.852838 (E_RNA)
where:
Base-Base interactions energy: -13.791
where: short stacking energy: -11.326
Base-Backbone interact. energy: 0.212
local terms energy: -42.274066
where:
bonds (distance) C4'-P energy: -9.585
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -10.325
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -0.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -63.479564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.479564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.479564 (E_RNA)
where:
Base-Base interactions energy: -27.404
where: short stacking energy: -16.476
Base-Backbone interact. energy: -0.998
local terms energy: -35.077593
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -9.904
flat angles C4'-P-C4' energy: -7.089
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -0.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -56.910474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.910474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.910474 (E_RNA)
where:
Base-Base interactions energy: -19.937
where: short stacking energy: -17.217
Base-Backbone interact. energy: -0.154
local terms energy: -36.820105
where:
bonds (distance) C4'-P energy: -8.645
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -10.721
flat angles P-C4'-P energy: -2.775
tors. eta vs tors. theta energy: -2.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -131.762550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.762550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.762550 (E_RNA)
where:
Base-Base interactions energy: -77.679
where: short stacking energy: -37.669
Base-Backbone interact. energy: 1.326
local terms energy: -55.409932
where:
bonds (distance) C4'-P energy: -9.980
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -8.672
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: 2, replica: 8
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -117.585034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.585034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.585034 (E_RNA)
where:
Base-Base interactions energy: -75.758
where: short stacking energy: -36.631
Base-Backbone interact. energy: -0.736
local terms energy: -41.091067
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -10.436
flat angles C4'-P-C4' energy: -6.848
flat angles P-C4'-P energy: -6.128
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: 3, replica: 7
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -95.542205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.542205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.542205 (E_RNA)
where:
Base-Base interactions energy: -49.989
where: short stacking energy: -27.999
Base-Backbone interact. energy: -0.001
local terms energy: -45.552036
where:
bonds (distance) C4'-P energy: -10.342
bonds (distance) P-C4' energy: -9.502
flat angles C4'-P-C4' energy: -8.377
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -9.575
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: 10
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -69.987916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.987916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.987916 (E_RNA)
where:
Base-Base interactions energy: -22.051
where: short stacking energy: -17.441
Base-Backbone interact. energy: -0.004
local terms energy: -47.932985
where:
bonds (distance) C4'-P energy: -9.663
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -7.695
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: 5, replica: 4
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -69.059310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.059310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.059310 (E_RNA)
where:
Base-Base interactions energy: -26.577
where: short stacking energy: -21.908
Base-Backbone interact. energy: -0.809
local terms energy: -41.672590
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -7.785
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -5.596
tors. eta vs tors. theta energy: -3.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -68.208220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.208220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.208220 (E_RNA)
where:
Base-Base interactions energy: -19.297
where: short stacking energy: -18.839
Base-Backbone interact. energy: -0.153
local terms energy: -48.757286
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -8.966
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -4.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -69.321690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.321690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.321690 (E_RNA)
where:
Base-Base interactions energy: -28.244
where: short stacking energy: -19.031
Base-Backbone interact. energy: -0.562
local terms energy: -40.516163
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -8.541
flat angles C4'-P-C4' energy: -8.777
flat angles P-C4'-P energy: -6.615
tors. eta vs tors. theta energy: -4.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -62.566773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.566773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.566773 (E_RNA)
where:
Base-Base interactions energy: -27.354
where: short stacking energy: -21.380
Base-Backbone interact. energy: -0.040
local terms energy: -35.172087
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -6.508
flat angles P-C4'-P energy: -2.224
tors. eta vs tors. theta energy: -3.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -63.250470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.250470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.250470 (E_RNA)
where:
Base-Base interactions energy: -25.699
where: short stacking energy: -20.185
Base-Backbone interact. energy: -0.044
local terms energy: -37.507886
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -2.100
flat angles C4'-P-C4' energy: -7.538
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -5.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -45.779443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.779443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.779443 (E_RNA)
where:
Base-Base interactions energy: -16.508
where: short stacking energy: -11.875
Base-Backbone interact. energy: -0.029
local terms energy: -29.241631
where:
bonds (distance) C4'-P energy: -5.815
bonds (distance) P-C4' energy: -10.076
flat angles C4'-P-C4' energy: -5.994
flat angles P-C4'-P energy: -6.206
tors. eta vs tors. theta energy: -1.150
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: 135
Temperature: 0.900000
Total energy: -132.609039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.609039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.609039 (E_RNA)
where:
Base-Base interactions energy: -76.250
where: short stacking energy: -40.764
Base-Backbone interact. energy: -0.014
local terms energy: -56.345248
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -11.647
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -11.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -103.604277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.604277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.604277 (E_RNA)
where:
Base-Base interactions energy: -59.837
where: short stacking energy: -34.150
Base-Backbone interact. energy: -0.010
local terms energy: -43.756882
where:
bonds (distance) C4'-P energy: -8.898
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -5.943
tors. eta vs tors. theta energy: -5.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -88.779407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.779407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.779407 (E_RNA)
where:
Base-Base interactions energy: -54.567
where: short stacking energy: -20.938
Base-Backbone interact. energy: 0.447
local terms energy: -34.658828
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -7.251
flat angles C4'-P-C4' energy: -7.708
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -2.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -71.425522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.425522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.425522 (E_RNA)
where:
Base-Base interactions energy: -33.293
where: short stacking energy: -17.476
Base-Backbone interact. energy: -0.333
local terms energy: -37.799408
where:
bonds (distance) C4'-P energy: -10.251
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: 2.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -64.717846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.717846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.717846 (E_RNA)
where:
Base-Base interactions energy: -23.820
where: short stacking energy: -23.820
Base-Backbone interact. energy: -0.188
local terms energy: -40.709240
where:
bonds (distance) C4'-P energy: -9.920
bonds (distance) P-C4' energy: -8.796
flat angles C4'-P-C4' energy: -10.881
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -1.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -65.829235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.829235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.829235 (E_RNA)
where:
Base-Base interactions energy: -23.872
where: short stacking energy: -23.872
Base-Backbone interact. energy: -0.008
local terms energy: -41.949150
where:
bonds (distance) C4'-P energy: -9.369
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -7.768
flat angles P-C4'-P energy: -8.071
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: 7, replica: 6
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -58.733027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.733027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.733027 (E_RNA)
where:
Base-Base interactions energy: -17.778
where: short stacking energy: -13.530
Base-Backbone interact. energy: -0.046
local terms energy: -40.908775
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -9.964
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -1.341
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: 8, replica: 2
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -71.927145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.927145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.927145 (E_RNA)
where:
Base-Base interactions energy: -35.000
where: short stacking energy: -18.260
Base-Backbone interact. energy: -0.547
local terms energy: -36.379618
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -9.011
flat angles C4'-P-C4' energy: -6.512
flat angles P-C4'-P energy: -2.992
tors. eta vs tors. theta energy: -7.464
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: 9, replica: 3
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -64.267782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.267782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.267782 (E_RNA)
where:
Base-Base interactions energy: -28.292
where: short stacking energy: -20.401
Base-Backbone interact. energy: -0.143
local terms energy: -35.832229
where:
bonds (distance) C4'-P energy: -9.804
bonds (distance) P-C4' energy: -8.002
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -4.575
tors. eta vs tors. theta energy: -1.598
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: 5
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -54.955230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.955230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.955230 (E_RNA)
where:
Base-Base interactions energy: -21.658
where: short stacking energy: -17.117
Base-Backbone interact. energy: 0.375
local terms energy: -33.672012
where:
bonds (distance) C4'-P energy: -8.439
bonds (distance) P-C4' energy: -9.771
flat angles C4'-P-C4' energy: -7.551
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -0.671
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: 9
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -125.990496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.990496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.990496 (E_RNA)
where:
Base-Base interactions energy: -83.750
where: short stacking energy: -36.053
Base-Backbone interact. energy: -0.086
local terms energy: -42.154418
where:
bonds (distance) C4'-P energy: -4.526
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -9.227
flat angles P-C4'-P energy: -6.176
tors. eta vs tors. theta energy: -11.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -103.195818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.195818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.195818 (E_RNA)
where:
Base-Base interactions energy: -56.850
where: short stacking energy: -29.558
Base-Backbone interact. energy: -0.007
local terms energy: -46.338052
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -7.039
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: 3, replica: 4
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -94.088240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.088240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.088240 (E_RNA)
where:
Base-Base interactions energy: -46.201
where: short stacking energy: -29.551
Base-Backbone interact. energy: -0.081
local terms energy: -47.806335
where:
bonds (distance) C4'-P energy: -9.125
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -9.737
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -6.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -88.393427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.393427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.393427 (E_RNA)
where:
Base-Base interactions energy: -41.389
where: short stacking energy: -24.579
Base-Backbone interact. energy: -0.247
local terms energy: -46.757624
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -10.060
flat angles C4'-P-C4' energy: -11.717
flat angles P-C4'-P energy: -8.571
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: 5, replica: 1
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -68.978725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.978725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.978725 (E_RNA)
where:
Base-Base interactions energy: -26.596
where: short stacking energy: -26.572
Base-Backbone interact. energy: -0.012
local terms energy: -42.370441
where:
bonds (distance) C4'-P energy: -9.042
bonds (distance) P-C4' energy: -10.552
flat angles C4'-P-C4' energy: -6.565
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -8.035
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: 10
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -70.939666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.939666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.939666 (E_RNA)
where:
Base-Base interactions energy: -32.726
where: short stacking energy: -18.014
Base-Backbone interact. energy: -0.316
local terms energy: -37.896748
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -7.377
flat angles P-C4'-P energy: -5.066
tors. eta vs tors. theta energy: -1.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -66.024852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.024852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.024852 (E_RNA)
where:
Base-Base interactions energy: -16.064
where: short stacking energy: -14.707
Base-Backbone interact. energy: -0.101
local terms energy: -49.859339
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -4.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -73.973472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.973472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.973472 (E_RNA)
where:
Base-Base interactions energy: -35.614
where: short stacking energy: -18.532
Base-Backbone interact. energy: -1.017
local terms energy: -37.341959
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -9.366
flat angles P-C4'-P energy: -5.765
tors. eta vs tors. theta energy: -0.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -61.926639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.926639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.926639 (E_RNA)
where:
Base-Base interactions energy: -21.230
where: short stacking energy: -7.468
Base-Backbone interact. energy: -0.241
local terms energy: -40.455371
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -9.834
flat angles C4'-P-C4' energy: -9.525
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -1.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -70.517771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.517771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.517771 (E_RNA)
where:
Base-Base interactions energy: -30.316
where: short stacking energy: -30.316
Base-Backbone interact. energy: -0.098
local terms energy: -40.104064
where:
bonds (distance) C4'-P energy: -9.321
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -6.297
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -5.004
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: 9
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -126.251393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.251393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.251393 (E_RNA)
where:
Base-Base interactions energy: -76.785
where: short stacking energy: -39.428
Base-Backbone interact. energy: -0.002
local terms energy: -49.464965
where:
bonds (distance) C4'-P energy: -9.382
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -5.464
tors. eta vs tors. theta energy: -11.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -104.272731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.272731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.272731 (E_RNA)
where:
Base-Base interactions energy: -55.975
where: short stacking energy: -27.424
Base-Backbone interact. energy: -0.058
local terms energy: -48.239214
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -10.824
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -5.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -78.912441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.912441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.912441 (E_RNA)
where:
Base-Base interactions energy: -44.337
where: short stacking energy: -20.347
Base-Backbone interact. energy: -0.135
local terms energy: -34.440696
where:
bonds (distance) C4'-P energy: -9.176
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -3.570
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: 4, replica: 8
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -88.471334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.471334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.471334 (E_RNA)
where:
Base-Base interactions energy: -40.657
where: short stacking energy: -25.018
Base-Backbone interact. energy: -0.032
local terms energy: -47.782081
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -9.858
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -6.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -71.461623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.461623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.461623 (E_RNA)
where:
Base-Base interactions energy: -31.311
where: short stacking energy: -25.117
Base-Backbone interact. energy: -0.004
local terms energy: -40.146674
where:
bonds (distance) C4'-P energy: -9.606
bonds (distance) P-C4' energy: -10.026
flat angles C4'-P-C4' energy: -10.491
flat angles P-C4'-P energy: -6.497
tors. eta vs tors. theta energy: -3.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -62.261546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.261546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.261546 (E_RNA)
where:
Base-Base interactions energy: -25.855
where: short stacking energy: -20.612
Base-Backbone interact. energy: -0.168
local terms energy: -36.239154
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -9.272
flat angles C4'-P-C4' energy: -7.040
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -2.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -76.568730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.568730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.568730 (E_RNA)
where:
Base-Base interactions energy: -34.962
where: short stacking energy: -18.897
Base-Backbone interact. energy: -0.921
local terms energy: -40.685453
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -11.411
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: -2.946
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: 8, replica: 5
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -61.228660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.228660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.228660 (E_RNA)
where:
Base-Base interactions energy: -26.370
where: short stacking energy: -18.903
Base-Backbone interact. energy: -0.035
local terms energy: -34.823096
where:
bonds (distance) C4'-P energy: -8.607
bonds (distance) P-C4' energy: -11.582
flat angles C4'-P-C4' energy: -7.261
flat angles P-C4'-P energy: -5.280
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: 9, replica: 6
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -72.325150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.325150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.325150 (E_RNA)
where:
Base-Base interactions energy: -28.168
where: short stacking energy: -16.542
Base-Backbone interact. energy: -0.111
local terms energy: -44.046240
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -11.442
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -2.126
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: 3
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -53.354376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.354376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.354376 (E_RNA)
where:
Base-Base interactions energy: -15.051
where: short stacking energy: -15.343
Base-Backbone interact. energy: -0.098
local terms energy: -38.205280
where:
bonds (distance) C4'-P energy: -3.992
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -9.530
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -2.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -145.054017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.054017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.054017 (E_RNA)
where:
Base-Base interactions energy: -98.065
where: short stacking energy: -40.140
Base-Backbone interact. energy: 2.427
local terms energy: -49.415921
where:
bonds (distance) C4'-P energy: -8.973
bonds (distance) P-C4' energy: -11.627
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -7.489
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: 4
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -88.438642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.438642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.438642 (E_RNA)
where:
Base-Base interactions energy: -39.537
where: short stacking energy: -36.375
Base-Backbone interact. energy: -0.093
local terms energy: -48.808679
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -10.200
flat angles C4'-P-C4' energy: -9.625
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -9.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -106.655097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.655097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.655097 (E_RNA)
where:
Base-Base interactions energy: -52.968
where: short stacking energy: -35.874
Base-Backbone interact. energy: -0.005
local terms energy: -53.682097
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -10.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -80.699906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.699906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.699906 (E_RNA)
where:
Base-Base interactions energy: -36.157
where: short stacking energy: -34.395
Base-Backbone interact. energy: -0.048
local terms energy: -44.495077
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -11.643
flat angles C4'-P-C4' energy: -8.943
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: -6.646
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: 5, replica: 2
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -85.849629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.849629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.849629 (E_RNA)
where:
Base-Base interactions energy: -39.892
where: short stacking energy: -23.784
Base-Backbone interact. energy: -0.112
local terms energy: -45.845733
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -9.709
flat angles C4'-P-C4' energy: -10.937
flat angles P-C4'-P energy: -9.234
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: 6, replica: 1
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -74.522450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.522450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.522450 (E_RNA)
where:
Base-Base interactions energy: -34.780
where: short stacking energy: -17.996
Base-Backbone interact. energy: -0.162
local terms energy: -39.580053
where:
bonds (distance) C4'-P energy: -9.027
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -6.819
flat angles P-C4'-P energy: -6.493
tors. eta vs tors. theta energy: -4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -58.203953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.203953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.203953 (E_RNA)
where:
Base-Base interactions energy: -20.522
where: short stacking energy: -17.657
Base-Backbone interact. energy: -2.184
local terms energy: -35.497936
where:
bonds (distance) C4'-P energy: -11.633
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -6.846
flat angles P-C4'-P energy: -5.502
tors. eta vs tors. theta energy: -0.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -60.784575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.784575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.784575 (E_RNA)
where:
Base-Base interactions energy: -30.681
where: short stacking energy: -12.270
Base-Backbone interact. energy: 0.042
local terms energy: -30.145582
where:
bonds (distance) C4'-P energy: -9.760
bonds (distance) P-C4' energy: -7.455
flat angles C4'-P-C4' energy: -5.510
flat angles P-C4'-P energy: -4.520
tors. eta vs tors. theta energy: -2.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -55.992802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.992802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.992802 (E_RNA)
where:
Base-Base interactions energy: -24.731
where: short stacking energy: -19.484
Base-Backbone interact. energy: -0.041
local terms energy: -31.220409
where:
bonds (distance) C4'-P energy: -7.884
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -5.584
flat angles P-C4'-P energy: -4.926
tors. eta vs tors. theta energy: -0.416
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: 138
Temperature: 1.350000
Total energy: -52.620739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.620739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.620739 (E_RNA)
where:
Base-Base interactions energy: -25.767
where: short stacking energy: -11.523
Base-Backbone interact. energy: -0.098
local terms energy: -26.755354
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -7.413
flat angles C4'-P-C4' energy: -1.999
flat angles P-C4'-P energy: -5.313
tors. eta vs tors. theta energy: -0.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -135.481945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.481945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.481945 (E_RNA)
where:
Base-Base interactions energy: -89.052
where: short stacking energy: -39.256
Base-Backbone interact. energy: -0.041
local terms energy: -46.388820
where:
bonds (distance) C4'-P energy: -9.930
bonds (distance) P-C4' energy: -8.900
flat angles C4'-P-C4' energy: -9.469
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -10.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -118.726885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.726885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.726885 (E_RNA)
where:
Base-Base interactions energy: -67.197
where: short stacking energy: -40.255
Base-Backbone interact. energy: -0.027
local terms energy: -51.502922
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -9.298
flat angles C4'-P-C4' energy: -9.618
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -11.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -94.750877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.750877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.750877 (E_RNA)
where:
Base-Base interactions energy: -46.984
where: short stacking energy: -26.399
Base-Backbone interact. energy: -0.432
local terms energy: -47.334958
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -7.546
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: 7
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -75.905647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.905647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.905647 (E_RNA)
where:
Base-Base interactions energy: -32.855
where: short stacking energy: -29.262
Base-Backbone interact. energy: -0.113
local terms energy: -42.937623
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -8.364
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -5.076
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: 2
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -70.254444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.254444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.254444 (E_RNA)
where:
Base-Base interactions energy: -25.420
where: short stacking energy: -13.115
Base-Backbone interact. energy: -0.105
local terms energy: -44.729746
where:
bonds (distance) C4'-P energy: -8.419
bonds (distance) P-C4' energy: -12.727
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -3.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -68.549941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.549941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.549941 (E_RNA)
where:
Base-Base interactions energy: -32.702
where: short stacking energy: -21.020
Base-Backbone interact. energy: -0.091
local terms energy: -35.756579
where:
bonds (distance) C4'-P energy: -8.520
bonds (distance) P-C4' energy: -8.743
flat angles C4'-P-C4' energy: -9.857
flat angles P-C4'-P energy: -6.952
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: 7, replica: 1
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -79.437857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.437857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.437857 (E_RNA)
where:
Base-Base interactions energy: -33.858
where: short stacking energy: -20.263
Base-Backbone interact. energy: -0.038
local terms energy: -45.541801
where:
bonds (distance) C4'-P energy: -7.391
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -9.762
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -7.825
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: 3
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -64.632938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.632938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.632938 (E_RNA)
where:
Base-Base interactions energy: -28.236
where: short stacking energy: -26.533
Base-Backbone interact. energy: -0.034
local terms energy: -36.363481
where:
bonds (distance) C4'-P energy: -7.621
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -3.971
tors. eta vs tors. theta energy: -1.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -55.387492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.387492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.387492 (E_RNA)
where:
Base-Base interactions energy: -18.939
where: short stacking energy: -18.939
Base-Backbone interact. energy: -0.064
local terms energy: -36.384557
where:
bonds (distance) C4'-P energy: -6.886
bonds (distance) P-C4' energy: -9.143
flat angles C4'-P-C4' energy: -9.368
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -4.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -53.710566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.710566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.710566 (E_RNA)
where:
Base-Base interactions energy: -15.158
where: short stacking energy: -10.515
Base-Backbone interact. energy: -0.015
local terms energy: -38.538354
where:
bonds (distance) C4'-P energy: -6.016
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -8.890
flat angles P-C4'-P energy: -4.557
tors. eta vs tors. theta energy: -6.666
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: 8
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -126.362498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.362498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.362498 (E_RNA)
where:
Base-Base interactions energy: -75.030
where: short stacking energy: -39.233
Base-Backbone interact. energy: -0.235
local terms energy: -51.097006
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -9.588
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -6.326
tors. eta vs tors. theta energy: -10.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -117.322872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.322872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.322872 (E_RNA)
where:
Base-Base interactions energy: -61.186
where: short stacking energy: -31.922
Base-Backbone interact. energy: -0.088
local terms energy: -56.048363
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -8.643
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: 3, replica: 7
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -89.379866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.379866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.379866 (E_RNA)
where:
Base-Base interactions energy: -45.725
where: short stacking energy: -29.760
Base-Backbone interact. energy: -0.118
local terms energy: -43.536034
where:
bonds (distance) C4'-P energy: -10.736
bonds (distance) P-C4' energy: -10.843
flat angles C4'-P-C4' energy: -9.608
flat angles P-C4'-P energy: -5.233
tors. eta vs tors. theta energy: -7.117
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: 140
Temperature: 1.050000
Total energy: -102.986346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.986346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.986346 (E_RNA)
where:
Base-Base interactions energy: -59.838
where: short stacking energy: -29.005
Base-Backbone interact. energy: -0.390
local terms energy: -42.757770
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -10.397
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -4.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -67.755801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.755801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.755801 (E_RNA)
where:
Base-Base interactions energy: -30.025
where: short stacking energy: -23.573
Base-Backbone interact. energy: -0.144
local terms energy: -37.587605
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -3.985
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -0.134
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: 2
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -61.653573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.653573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.653573 (E_RNA)
where:
Base-Base interactions energy: -23.808
where: short stacking energy: -19.523
Base-Backbone interact. energy: -0.012
local terms energy: -37.834081
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -9.250
flat angles P-C4'-P energy: -6.426
tors. eta vs tors. theta energy: -0.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -73.748797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.748797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.748797 (E_RNA)
where:
Base-Base interactions energy: -44.697
where: short stacking energy: -18.680
Base-Backbone interact. energy: 0.967
local terms energy: -30.018277
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -10.004
flat angles C4'-P-C4' energy: -7.928
flat angles P-C4'-P energy: 1.215
tors. eta vs tors. theta energy: -2.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -60.621717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.621717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.621717 (E_RNA)
where:
Base-Base interactions energy: -30.700
where: short stacking energy: -19.108
Base-Backbone interact. energy: 0.448
local terms energy: -30.369965
where:
bonds (distance) C4'-P energy: -8.574
bonds (distance) P-C4' energy: -7.764
flat angles C4'-P-C4' energy: -7.720
flat angles P-C4'-P energy: 0.133
tors. eta vs tors. theta energy: -6.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -54.671224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.671224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.671224 (E_RNA)
where:
Base-Base interactions energy: -18.862
where: short stacking energy: -18.862
Base-Backbone interact. energy: -0.500
local terms energy: -35.309141
where:
bonds (distance) C4'-P energy: -9.344
bonds (distance) P-C4' energy: -7.674
flat angles C4'-P-C4' energy: -9.329
flat angles P-C4'-P energy: -4.748
tors. eta vs tors. theta energy: -4.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -51.645467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.645467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.645467 (E_RNA)
where:
Base-Base interactions energy: -23.850
where: short stacking energy: -16.714
Base-Backbone interact. energy: -0.124
local terms energy: -27.671651
where:
bonds (distance) C4'-P energy: -9.965
bonds (distance) P-C4' energy: -2.315
flat angles C4'-P-C4' energy: -9.696
flat angles P-C4'-P energy: -2.252
tors. eta vs tors. theta energy: -3.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -132.201937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.201937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.201937 (E_RNA)
where:
Base-Base interactions energy: -78.966
where: short stacking energy: -44.828
Base-Backbone interact. energy: -0.000
local terms energy: -53.236085
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -10.827
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -5.387
tors. eta vs tors. theta energy: -13.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -120.733262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.733262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.733262 (E_RNA)
where:
Base-Base interactions energy: -77.419
where: short stacking energy: -37.234
Base-Backbone interact. energy: 1.834
local terms energy: -45.148436
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -6.691
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -7.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -90.796771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.796771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.796771 (E_RNA)
where:
Base-Base interactions energy: -47.298
where: short stacking energy: -22.678
Base-Backbone interact. energy: -0.200
local terms energy: -43.298191
where:
bonds (distance) C4'-P energy: -7.975
bonds (distance) P-C4' energy: -12.064
flat angles C4'-P-C4' energy: -10.444
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -2.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -98.802216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.802216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.802216 (E_RNA)
where:
Base-Base interactions energy: -53.092
where: short stacking energy: -29.153
Base-Backbone interact. energy: -0.001
local terms energy: -45.709539
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -4.197
tors. eta vs tors. theta energy: -8.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -71.902643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.902643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.902643 (E_RNA)
where:
Base-Base interactions energy: -22.887
where: short stacking energy: -22.887
Base-Backbone interact. energy: -0.054
local terms energy: -48.960864
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -6.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -75.683543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.683543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.683543 (E_RNA)
where:
Base-Base interactions energy: -36.418
where: short stacking energy: -18.663
Base-Backbone interact. energy: -0.087
local terms energy: -39.178360
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -10.612
flat angles P-C4'-P energy: -6.498
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: 7, replica: 2
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -63.531436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.531436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.531436 (E_RNA)
where:
Base-Base interactions energy: -20.774
where: short stacking energy: -10.984
Base-Backbone interact. energy: -0.106
local terms energy: -42.651674
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -10.564
flat angles P-C4'-P energy: -7.785
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: 8, replica: 6
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -63.731841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.731841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.731841 (E_RNA)
where:
Base-Base interactions energy: -25.976
where: short stacking energy: -23.489
Base-Backbone interact. energy: -0.060
local terms energy: -37.695904
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -6.207
flat angles C4'-P-C4' energy: -9.161
flat angles P-C4'-P energy: -5.646
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: 9, replica: 1
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -59.793921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.793921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.793921 (E_RNA)
where:
Base-Base interactions energy: -22.791
where: short stacking energy: -21.304
Base-Backbone interact. energy: -0.141
local terms energy: -36.862344
where:
bonds (distance) C4'-P energy: -10.500
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -8.128
flat angles P-C4'-P energy: -4.356
tors. eta vs tors. theta energy: -2.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -53.081805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.081805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.081805 (E_RNA)
where:
Base-Base interactions energy: -11.096
where: short stacking energy: -7.789
Base-Backbone interact. energy: -0.273
local terms energy: -41.713181
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -11.061
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: 2.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -122.440568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.440568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.440568 (E_RNA)
where:
Base-Base interactions energy: -72.428
where: short stacking energy: -31.296
Base-Backbone interact. energy: 3.355
local terms energy: -53.367032
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -9.675
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -8.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -128.811898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.811898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.811898 (E_RNA)
where:
Base-Base interactions energy: -78.952
where: short stacking energy: -40.439
Base-Backbone interact. energy: -0.001
local terms energy: -49.859150
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -8.175
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -5.843
tors. eta vs tors. theta energy: -11.559
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: 3, replica: 4
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -73.690128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.690128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.690128 (E_RNA)
where:
Base-Base interactions energy: -31.915
where: short stacking energy: -27.637
Base-Backbone interact. energy: -0.315
local terms energy: -41.460726
where:
bonds (distance) C4'-P energy: -9.217
bonds (distance) P-C4' energy: -8.576
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -4.097
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: 7
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -93.562417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.562417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.562417 (E_RNA)
where:
Base-Base interactions energy: -48.996
where: short stacking energy: -32.152
Base-Backbone interact. energy: -0.155
local terms energy: -44.410581
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -3.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -75.579131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.579131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.579131 (E_RNA)
where:
Base-Base interactions energy: -33.820
where: short stacking energy: -22.667
Base-Backbone interact. energy: 0.803
local terms energy: -42.561878
where:
bonds (distance) C4'-P energy: -10.595
bonds (distance) P-C4' energy: -11.511
flat angles C4'-P-C4' energy: -7.650
flat angles P-C4'-P energy: -8.218
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: 6, replica: 10
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -61.630770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.630770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.630770 (E_RNA)
where:
Base-Base interactions energy: -24.567
where: short stacking energy: -11.832
Base-Backbone interact. energy: -0.837
local terms energy: -36.226759
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -10.467
flat angles C4'-P-C4' energy: -9.051
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: 1.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -64.274272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.274272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.274272 (E_RNA)
where:
Base-Base interactions energy: -28.848
where: short stacking energy: -10.989
Base-Backbone interact. energy: 0.055
local terms energy: -35.480901
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -4.266
flat angles P-C4'-P energy: -9.052
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: 2
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -63.615990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.615990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.615990 (E_RNA)
where:
Base-Base interactions energy: -22.782
where: short stacking energy: -22.782
Base-Backbone interact. energy: -0.001
local terms energy: -40.833338
where:
bonds (distance) C4'-P energy: -10.007
bonds (distance) P-C4' energy: -8.673
flat angles C4'-P-C4' energy: -9.024
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -6.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -51.080990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.080990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.080990 (E_RNA)
where:
Base-Base interactions energy: -21.827
where: short stacking energy: -12.883
Base-Backbone interact. energy: -0.347
local terms energy: -28.906214
where:
bonds (distance) C4'-P energy: -8.393
bonds (distance) P-C4' energy: -11.292
flat angles C4'-P-C4' energy: -7.636
flat angles P-C4'-P energy: -4.962
tors. eta vs tors. theta energy: 3.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -56.738153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.738153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.738153 (E_RNA)
where:
Base-Base interactions energy: -23.930
where: short stacking energy: -15.173
Base-Backbone interact. energy: -0.104
local terms energy: -32.703761
where:
bonds (distance) C4'-P energy: -6.514
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -7.585
flat angles P-C4'-P energy: -3.884
tors. eta vs tors. theta energy: -1.171
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: 143
Temperature: 0.900000
Total energy: -123.298093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.298093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.298093 (E_RNA)
where:
Base-Base interactions energy: -74.218
where: short stacking energy: -27.543
Base-Backbone interact. energy: -0.134
local terms energy: -48.945792
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -5.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -126.190529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.190529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.190529 (E_RNA)
where:
Base-Base interactions energy: -77.080
where: short stacking energy: -37.800
Base-Backbone interact. energy: 0.260
local terms energy: -49.370310
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -8.595
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -8.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -75.497963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.497963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.497963 (E_RNA)
where:
Base-Base interactions energy: -35.973
where: short stacking energy: -17.929
Base-Backbone interact. energy: -0.111
local terms energy: -39.413480
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -9.733
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: 0.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -73.973661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.973661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.973661 (E_RNA)
where:
Base-Base interactions energy: -32.591
where: short stacking energy: -20.472
Base-Backbone interact. energy: -0.075
local terms energy: -41.307963
where:
bonds (distance) C4'-P energy: -8.641
bonds (distance) P-C4' energy: -9.477
flat angles C4'-P-C4' energy: -11.071
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -4.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -77.479662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.479662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.479662 (E_RNA)
where:
Base-Base interactions energy: -30.417
where: short stacking energy: -29.682
Base-Backbone interact. energy: -0.000
local terms energy: -47.062703
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -6.585
tors. eta vs tors. theta energy: -5.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -73.449900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.449900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.449900 (E_RNA)
where:
Base-Base interactions energy: -36.172
where: short stacking energy: -16.183
Base-Backbone interact. energy: -0.106
local terms energy: -37.172200
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -10.799
flat angles C4'-P-C4' energy: -8.270
flat angles P-C4'-P energy: -3.170
tors. eta vs tors. theta energy: -2.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -74.876806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.876806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.876806 (E_RNA)
where:
Base-Base interactions energy: -38.919
where: short stacking energy: -15.918
Base-Backbone interact. energy: -1.230
local terms energy: -34.727134
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -2.638
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: 8, replica: 1
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -61.591805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.591805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.591805 (E_RNA)
where:
Base-Base interactions energy: -17.333
where: short stacking energy: -17.333
Base-Backbone interact. energy: -0.049
local terms energy: -44.209262
where:
bonds (distance) C4'-P energy: -7.657
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -5.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -53.348835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.348835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.348835 (E_RNA)
where:
Base-Base interactions energy: -18.744
where: short stacking energy: -17.628
Base-Backbone interact. energy: -0.153
local terms energy: -34.451182
where:
bonds (distance) C4'-P energy: -9.755
bonds (distance) P-C4' energy: -9.287
flat angles C4'-P-C4' energy: -3.745
flat angles P-C4'-P energy: -5.520
tors. eta vs tors. theta energy: -6.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -61.000261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.000261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.000261 (E_RNA)
where:
Base-Base interactions energy: -17.857
where: short stacking energy: -17.857
Base-Backbone interact. energy: 0.578
local terms energy: -43.721004
where:
bonds (distance) C4'-P energy: -8.207
bonds (distance) P-C4' energy: -10.710
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -4.759
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: 8
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -124.042323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.042323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.042323 (E_RNA)
where:
Base-Base interactions energy: -77.719
where: short stacking energy: -30.891
Base-Backbone interact. energy: -0.054
local terms energy: -46.269219
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -7.874
flat angles C4'-P-C4' energy: -11.182
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -8.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -129.639997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.639997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.639997 (E_RNA)
where:
Base-Base interactions energy: -81.212
where: short stacking energy: -42.504
Base-Backbone interact. energy: -1.332
local terms energy: -47.096395
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -9.561
flat angles C4'-P-C4' energy: -10.317
flat angles P-C4'-P energy: -5.836
tors. eta vs tors. theta energy: -10.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -83.998258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.998258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.998258 (E_RNA)
where:
Base-Base interactions energy: -42.543
where: short stacking energy: -18.816
Base-Backbone interact. energy: -0.218
local terms energy: -41.237804
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -8.126
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -0.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -72.716014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.716014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.716014 (E_RNA)
where:
Base-Base interactions energy: -34.501
where: short stacking energy: -22.530
Base-Backbone interact. energy: -0.403
local terms energy: -37.812276
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -6.213
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: -0.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -77.921143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.921143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.921143 (E_RNA)
where:
Base-Base interactions energy: -37.964
where: short stacking energy: -16.797
Base-Backbone interact. energy: -0.375
local terms energy: -39.582161
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -9.142
flat angles P-C4'-P energy: -3.602
tors. eta vs tors. theta energy: -3.467
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: 3
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -62.173644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.173644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.173644 (E_RNA)
where:
Base-Base interactions energy: -22.176
where: short stacking energy: -17.946
Base-Backbone interact. energy: 0.319
local terms energy: -40.316755
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -9.448
flat angles C4'-P-C4' energy: -9.781
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -2.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -63.900420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.900420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.900420 (E_RNA)
where:
Base-Base interactions energy: -27.317
where: short stacking energy: -23.584
Base-Backbone interact. energy: -0.072
local terms energy: -36.511721
where:
bonds (distance) C4'-P energy: -7.263
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -10.551
flat angles P-C4'-P energy: -3.175
tors. eta vs tors. theta energy: -3.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -74.742002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.742002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.742002 (E_RNA)
where:
Base-Base interactions energy: -31.357
where: short stacking energy: -22.297
Base-Backbone interact. energy: -0.058
local terms energy: -43.326438
where:
bonds (distance) C4'-P energy: -9.105
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -9.902
flat angles P-C4'-P energy: -3.869
tors. eta vs tors. theta energy: -8.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -55.949208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.949208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.949208 (E_RNA)
where:
Base-Base interactions energy: -17.094
where: short stacking energy: -17.094
Base-Backbone interact. energy: -0.211
local terms energy: -38.644045
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -8.545
flat angles P-C4'-P energy: -5.307
tors. eta vs tors. theta energy: -2.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -58.558506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.558506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.558506 (E_RNA)
where:
Base-Base interactions energy: -22.605
where: short stacking energy: -15.243
Base-Backbone interact. energy: -0.148
local terms energy: -35.805808
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -8.133
flat angles C4'-P-C4' energy: -6.704
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -2.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -122.945385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.945385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.945385 (E_RNA)
where:
Base-Base interactions energy: -76.584
where: short stacking energy: -28.486
Base-Backbone interact. energy: -0.093
local terms energy: -46.268763
where:
bonds (distance) C4'-P energy: -9.963
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -9.466
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -9.271
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: 9
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -126.721987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.721987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.721987 (E_RNA)
where:
Base-Base interactions energy: -81.892
where: short stacking energy: -39.594
Base-Backbone interact. energy: -0.035
local terms energy: -44.794784
where:
bonds (distance) C4'-P energy: -7.867
bonds (distance) P-C4' energy: -8.951
flat angles C4'-P-C4' energy: -9.475
flat angles P-C4'-P energy: -7.932
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: 3, replica: 4
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -97.133293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.133293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.133293 (E_RNA)
where:
Base-Base interactions energy: -54.054
where: short stacking energy: -36.883
Base-Backbone interact. energy: -0.496
local terms energy: -42.582785
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -11.272
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -2.875
tors. eta vs tors. theta energy: -4.574
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: 4, replica: 6
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -81.316986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.316986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.316986 (E_RNA)
where:
Base-Base interactions energy: -42.893
where: short stacking energy: -31.341
Base-Backbone interact. energy: -0.237
local terms energy: -38.187695
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -7.414
flat angles C4'-P-C4' energy: -7.119
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -4.440
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: 145
Temperature: 1.100000
Total energy: -66.511660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.511660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.511660 (E_RNA)
where:
Base-Base interactions energy: -20.666
where: short stacking energy: -20.666
Base-Backbone interact. energy: -0.090
local terms energy: -45.755470
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -10.952
flat angles C4'-P-C4' energy: -10.693
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -3.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -78.751243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.751243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.751243 (E_RNA)
where:
Base-Base interactions energy: -33.936
where: short stacking energy: -31.566
Base-Backbone interact. energy: -0.812
local terms energy: -44.004077
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -5.376
tors. eta vs tors. theta energy: -4.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -65.099713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.099713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.099713 (E_RNA)
where:
Base-Base interactions energy: -25.565
where: short stacking energy: -15.682
Base-Backbone interact. energy: 0.342
local terms energy: -39.876588
where:
bonds (distance) C4'-P energy: -7.101
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -2.737
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: 5
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -58.915022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.915022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.915022 (E_RNA)
where:
Base-Base interactions energy: -26.871
where: short stacking energy: -21.564
Base-Backbone interact. energy: -0.180
local terms energy: -31.863852
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -8.218
flat angles P-C4'-P energy: -4.528
tors. eta vs tors. theta energy: 2.743
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: 9, replica: 10
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -63.971393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.971393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.971393 (E_RNA)
where:
Base-Base interactions energy: -23.493
where: short stacking energy: -20.919
Base-Backbone interact. energy: -0.019
local terms energy: -40.458763
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -4.116
tors. eta vs tors. theta energy: -3.579
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: 10, replica: 2
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -54.946723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.946723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.946723 (E_RNA)
where:
Base-Base interactions energy: -25.392
where: short stacking energy: -9.488
Base-Backbone interact. energy: -0.226
local terms energy: -29.328228
where:
bonds (distance) C4'-P energy: -8.600
bonds (distance) P-C4' energy: -9.097
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -1.395
tors. eta vs tors. theta energy: 1.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -132.997616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.997616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.997616 (E_RNA)
where:
Base-Base interactions energy: -84.237
where: short stacking energy: -37.969
Base-Backbone interact. energy: -0.170
local terms energy: -48.591143
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -11.186
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -8.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -117.129628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.129628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.129628 (E_RNA)
where:
Base-Base interactions energy: -66.515
where: short stacking energy: -42.643
Base-Backbone interact. energy: -0.002
local terms energy: -50.613019
where:
bonds (distance) C4'-P energy: -9.939
bonds (distance) P-C4' energy: -8.987
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -5.750
tors. eta vs tors. theta energy: -12.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -98.707006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.707006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.707006 (E_RNA)
where:
Base-Base interactions energy: -50.901
where: short stacking energy: -33.869
Base-Backbone interact. energy: -0.062
local terms energy: -47.743590
where:
bonds (distance) C4'-P energy: -9.723
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -8.742
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -9.350
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: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -69.814712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.814712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.814712 (E_RNA)
where:
Base-Base interactions energy: -26.783
where: short stacking energy: -26.783
Base-Backbone interact. energy: -0.116
local terms energy: -42.915735
where:
bonds (distance) C4'-P energy: -6.460
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -10.632
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -7.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -81.605825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.605825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.605825 (E_RNA)
where:
Base-Base interactions energy: -39.691
where: short stacking energy: -31.300
Base-Backbone interact. energy: -0.135
local terms energy: -41.780606
where:
bonds (distance) C4'-P energy: -8.580
bonds (distance) P-C4' energy: -9.207
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -5.086
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: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -60.921819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.921819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.921819 (E_RNA)
where:
Base-Base interactions energy: -26.212
where: short stacking energy: -19.949
Base-Backbone interact. energy: -0.074
local terms energy: -34.635992
where:
bonds (distance) C4'-P energy: -8.935
bonds (distance) P-C4' energy: -10.638
flat angles C4'-P-C4' energy: -9.463
flat angles P-C4'-P energy: -8.492
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: 7, replica: 5
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -57.243736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.243736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.243736 (E_RNA)
where:
Base-Base interactions energy: -20.156
where: short stacking energy: -14.546
Base-Backbone interact. energy: -0.022
local terms energy: -37.065805
where:
bonds (distance) C4'-P energy: -9.386
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -8.630
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -0.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -57.411129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.411129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.411129 (E_RNA)
where:
Base-Base interactions energy: -17.356
where: short stacking energy: -9.747
Base-Backbone interact. energy: -0.151
local terms energy: -39.904207
where:
bonds (distance) C4'-P energy: -10.835
bonds (distance) P-C4' energy: -10.468
flat angles C4'-P-C4' energy: -11.050
flat angles P-C4'-P energy: -6.786
tors. eta vs tors. theta energy: -0.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -63.618233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.618233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.618233 (E_RNA)
where:
Base-Base interactions energy: -22.305
where: short stacking energy: -18.970
Base-Backbone interact. energy: -0.111
local terms energy: -41.202091
where:
bonds (distance) C4'-P energy: -9.585
bonds (distance) P-C4' energy: -10.320
flat angles C4'-P-C4' energy: -10.748
flat angles P-C4'-P energy: -3.737
tors. eta vs tors. theta energy: -6.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -58.904372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.904372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.904372 (E_RNA)
where:
Base-Base interactions energy: -16.177
where: short stacking energy: -12.303
Base-Backbone interact. energy: -0.051
local terms energy: -42.676803
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -8.670
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -2.430
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: 1, replica: 9
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -135.024888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.024888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.024888 (E_RNA)
where:
Base-Base interactions energy: -93.215
where: short stacking energy: -38.627
Base-Backbone interact. energy: 0.874
local terms energy: -42.684279
where:
bonds (distance) C4'-P energy: -7.448
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -8.850
flat angles P-C4'-P energy: -5.745
tors. eta vs tors. theta energy: -7.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -115.354876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.354876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.354876 (E_RNA)
where:
Base-Base interactions energy: -73.693
where: short stacking energy: -28.924
Base-Backbone interact. energy: -0.847
local terms energy: -40.814817
where:
bonds (distance) C4'-P energy: -9.773
bonds (distance) P-C4' energy: -9.999
flat angles C4'-P-C4' energy: -8.342
flat angles P-C4'-P energy: -0.960
tors. eta vs tors. theta energy: -11.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -115.855672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.855672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.855672 (E_RNA)
where:
Base-Base interactions energy: -69.937
where: short stacking energy: -40.048
Base-Backbone interact. energy: -0.052
local terms energy: -45.867105
where:
bonds (distance) C4'-P energy: -6.112
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -9.624
flat angles P-C4'-P energy: -5.014
tors. eta vs tors. theta energy: -11.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -97.495233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.495233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.495233 (E_RNA)
where:
Base-Base interactions energy: -49.858
where: short stacking energy: -34.590
Base-Backbone interact. energy: -0.000
local terms energy: -47.636520
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -12.231
flat angles C4'-P-C4' energy: -9.435
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -7.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -81.975694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.975694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.975694 (E_RNA)
where:
Base-Base interactions energy: -41.054
where: short stacking energy: -29.119
Base-Backbone interact. energy: -0.086
local terms energy: -40.835622
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -9.220
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -7.996
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: 6, replica: 5
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -77.018523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.018523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.018523 (E_RNA)
where:
Base-Base interactions energy: -34.331
where: short stacking energy: -26.558
Base-Backbone interact. energy: -0.003
local terms energy: -42.684199
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -10.296
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -3.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -66.209205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.209205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.209205 (E_RNA)
where:
Base-Base interactions energy: -22.349
where: short stacking energy: -17.601
Base-Backbone interact. energy: -0.120
local terms energy: -43.740045
where:
bonds (distance) C4'-P energy: -9.578
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -8.459
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -4.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -58.497487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.497487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.497487 (E_RNA)
where:
Base-Base interactions energy: -24.320
where: short stacking energy: -15.253
Base-Backbone interact. energy: -0.073
local terms energy: -34.104236
where:
bonds (distance) C4'-P energy: -7.169
bonds (distance) P-C4' energy: -7.943
flat angles C4'-P-C4' energy: -8.947
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -2.323
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: 3
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -57.164530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.164530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.164530 (E_RNA)
where:
Base-Base interactions energy: -30.282
where: short stacking energy: -26.668
Base-Backbone interact. energy: -0.045
local terms energy: -26.837152
where:
bonds (distance) C4'-P energy: -5.809
bonds (distance) P-C4' energy: -3.583
flat angles C4'-P-C4' energy: -9.162
flat angles P-C4'-P energy: -5.158
tors. eta vs tors. theta energy: -3.126
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: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -53.688255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.688255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.688255 (E_RNA)
where:
Base-Base interactions energy: -12.644
where: short stacking energy: -12.644
Base-Backbone interact. energy: -0.153
local terms energy: -40.890987
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -7.714
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -6.787
tors. eta vs tors. theta energy: -4.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -128.156635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.156635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.156635 (E_RNA)
where:
Base-Base interactions energy: -80.755
where: short stacking energy: -36.922
Base-Backbone interact. energy: -0.012
local terms energy: -47.390474
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -9.070
flat angles C4'-P-C4' energy: -10.187
flat angles P-C4'-P energy: -6.043
tors. eta vs tors. theta energy: -11.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -134.699384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.699384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.699384 (E_RNA)
where:
Base-Base interactions energy: -81.985
where: short stacking energy: -36.227
Base-Backbone interact. energy: -0.960
local terms energy: -51.754794
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -10.430
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -6.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -94.000057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.000057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.000057 (E_RNA)
where:
Base-Base interactions energy: -56.028
where: short stacking energy: -22.373
Base-Backbone interact. energy: -0.005
local terms energy: -37.967006
where:
bonds (distance) C4'-P energy: -8.476
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -8.608
flat angles P-C4'-P energy: -5.672
tors. eta vs tors. theta energy: -2.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -83.306574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.306574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.306574 (E_RNA)
where:
Base-Base interactions energy: -46.284
where: short stacking energy: -22.809
Base-Backbone interact. energy: -0.835
local terms energy: -36.187389
where:
bonds (distance) C4'-P energy: -3.086
bonds (distance) P-C4' energy: -11.331
flat angles C4'-P-C4' energy: -8.449
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -2.830
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: 5, replica: 6
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -77.408876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.408876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.408876 (E_RNA)
where:
Base-Base interactions energy: -40.484
where: short stacking energy: -21.544
Base-Backbone interact. energy: -0.170
local terms energy: -36.754045
where:
bonds (distance) C4'-P energy: -6.891
bonds (distance) P-C4' energy: -8.578
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -2.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -84.662846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.662846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.662846 (E_RNA)
where:
Base-Base interactions energy: -46.464
where: short stacking energy: -21.384
Base-Backbone interact. energy: -0.455
local terms energy: -37.743640
where:
bonds (distance) C4'-P energy: -7.826
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -9.487
flat angles P-C4'-P energy: -5.044
tors. eta vs tors. theta energy: -2.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -61.276314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.276314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.276314 (E_RNA)
where:
Base-Base interactions energy: -28.139
where: short stacking energy: -15.216
Base-Backbone interact. energy: -0.039
local terms energy: -33.097869
where:
bonds (distance) C4'-P energy: -6.426
bonds (distance) P-C4' energy: -10.451
flat angles C4'-P-C4' energy: -9.038
flat angles P-C4'-P energy: -3.762
tors. eta vs tors. theta energy: -3.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -59.438858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.438858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.438858 (E_RNA)
where:
Base-Base interactions energy: -24.291
where: short stacking energy: -17.962
Base-Backbone interact. energy: -0.482
local terms energy: -34.665579
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -8.895
flat angles C4'-P-C4' energy: -9.328
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: 0.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -57.716453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.716453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.716453 (E_RNA)
where:
Base-Base interactions energy: -21.489
where: short stacking energy: -21.489
Base-Backbone interact. energy: -0.041
local terms energy: -36.186538
where:
bonds (distance) C4'-P energy: -9.042
bonds (distance) P-C4' energy: -8.369
flat angles C4'-P-C4' energy: -7.241
flat angles P-C4'-P energy: -7.696
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: 10, replica: 3
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -61.466787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.466787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.466787 (E_RNA)
where:
Base-Base interactions energy: -20.538
where: short stacking energy: -20.538
Base-Backbone interact. energy: -0.232
local terms energy: -40.696570
where:
bonds (distance) C4'-P energy: -8.301
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -8.655
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -2.712
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: 1, replica: 4
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -124.975004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.975004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.975004 (E_RNA)
where:
Base-Base interactions energy: -71.229
where: short stacking energy: -33.969
Base-Backbone interact. energy: -0.027
local terms energy: -53.719397
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -11.052
flat angles C4'-P-C4' energy: -10.273
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -11.007
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: 9
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -130.964647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.964647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.964647 (E_RNA)
where:
Base-Base interactions energy: -82.705
where: short stacking energy: -28.205
Base-Backbone interact. energy: -0.283
local terms energy: -47.976294
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -10.957
flat angles C4'-P-C4' energy: -11.462
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -6.386
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: 8
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -115.510935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.510935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.510935 (E_RNA)
where:
Base-Base interactions energy: -71.385
where: short stacking energy: -33.872
Base-Backbone interact. energy: -0.248
local terms energy: -43.878550
where:
bonds (distance) C4'-P energy: -5.988
bonds (distance) P-C4' energy: -10.400
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -5.134
tors. eta vs tors. theta energy: -10.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -75.713834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.713834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.713834 (E_RNA)
where:
Base-Base interactions energy: -32.358
where: short stacking energy: -26.304
Base-Backbone interact. energy: -0.101
local terms energy: -43.254561
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -6.464
flat angles C4'-P-C4' energy: -8.736
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -8.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -90.181859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.181859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.181859 (E_RNA)
where:
Base-Base interactions energy: -45.291
where: short stacking energy: -23.220
Base-Backbone interact. energy: -0.072
local terms energy: -44.819205
where:
bonds (distance) C4'-P energy: -10.384
bonds (distance) P-C4' energy: -10.803
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -5.141
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: 5
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -78.764815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.764815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.764815 (E_RNA)
where:
Base-Base interactions energy: -37.488
where: short stacking energy: -19.734
Base-Backbone interact. energy: -0.095
local terms energy: -41.181581
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -9.636
flat angles C4'-P-C4' energy: -7.593
flat angles P-C4'-P energy: -6.225
tors. eta vs tors. theta energy: -5.409
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: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -54.873158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.873158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.873158 (E_RNA)
where:
Base-Base interactions energy: -22.806
where: short stacking energy: -15.823
Base-Backbone interact. energy: -0.046
local terms energy: -32.021452
where:
bonds (distance) C4'-P energy: -9.734
bonds (distance) P-C4' energy: -9.215
flat angles C4'-P-C4' energy: -7.488
flat angles P-C4'-P energy: -6.510
tors. eta vs tors. theta energy: 0.925
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: 10
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -63.112553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.112553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.112553 (E_RNA)
where:
Base-Base interactions energy: -19.259
where: short stacking energy: -18.447
Base-Backbone interact. energy: 0.220
local terms energy: -44.073627
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -9.867
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -3.755
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: 2
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -64.367116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.367116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.367116 (E_RNA)
where:
Base-Base interactions energy: -23.565
where: short stacking energy: -18.645
Base-Backbone interact. energy: -0.004
local terms energy: -40.797750
where:
bonds (distance) C4'-P energy: -5.801
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -6.831
tors. eta vs tors. theta energy: -3.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -52.233225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.233225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.233225 (E_RNA)
where:
Base-Base interactions energy: -15.229
where: short stacking energy: -8.907
Base-Backbone interact. energy: -0.084
local terms energy: -36.919813
where:
bonds (distance) C4'-P energy: -8.236
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -3.674
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: 1, replica: 9
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -140.447525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.447525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.447525 (E_RNA)
where:
Base-Base interactions energy: -88.457
where: short stacking energy: -35.125
Base-Backbone interact. energy: -0.435
local terms energy: -51.556006
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -11.893
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -8.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -121.820942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.820942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.820942 (E_RNA)
where:
Base-Base interactions energy: -78.774
where: short stacking energy: -38.470
Base-Backbone interact. energy: -0.047
local terms energy: -43.000163
where:
bonds (distance) C4'-P energy: -9.647
bonds (distance) P-C4' energy: -5.398
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -4.701
tors. eta vs tors. theta energy: -10.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -116.241575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.241575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.241575 (E_RNA)
where:
Base-Base interactions energy: -68.219
where: short stacking energy: -34.603
Base-Backbone interact. energy: -1.344
local terms energy: -46.678354
where:
bonds (distance) C4'-P energy: -10.615
bonds (distance) P-C4' energy: -11.235
flat angles C4'-P-C4' energy: -7.912
flat angles P-C4'-P energy: -5.085
tors. eta vs tors. theta energy: -11.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -112.042782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.042782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.042782 (E_RNA)
where:
Base-Base interactions energy: -65.269
where: short stacking energy: -30.783
Base-Backbone interact. energy: -0.675
local terms energy: -46.099111
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -6.340
flat angles C4'-P-C4' energy: -9.847
flat angles P-C4'-P energy: -8.599
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: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -85.707645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.707645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.707645 (E_RNA)
where:
Base-Base interactions energy: -40.927
where: short stacking energy: -23.129
Base-Backbone interact. energy: -0.083
local terms energy: -44.697538
where:
bonds (distance) C4'-P energy: -8.583
bonds (distance) P-C4' energy: -12.515
flat angles C4'-P-C4' energy: -10.118
flat angles P-C4'-P energy: -6.222
tors. eta vs tors. theta energy: -7.260
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: 150
Temperature: 1.150000
Total energy: -82.892709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.892709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.892709 (E_RNA)
where:
Base-Base interactions energy: -35.269
where: short stacking energy: -25.568
Base-Backbone interact. energy: -0.030
local terms energy: -47.593171
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -9.676
flat angles P-C4'-P energy: -6.000
tors. eta vs tors. theta energy: -8.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -63.951078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.951078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.951078 (E_RNA)
where:
Base-Base interactions energy: -25.043
where: short stacking energy: -21.612
Base-Backbone interact. energy: -0.111
local terms energy: -38.797671
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -11.263
flat angles C4'-P-C4' energy: -7.980
flat angles P-C4'-P energy: -4.501
tors. eta vs tors. theta energy: -4.341
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: 8, replica: 7
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -67.902956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.902956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.902956 (E_RNA)
where:
Base-Base interactions energy: -38.372
where: short stacking energy: -23.113
Base-Backbone interact. energy: 0.394
local terms energy: -29.925508
where:
bonds (distance) C4'-P energy: -7.187
bonds (distance) P-C4' energy: -4.718
flat angles C4'-P-C4' energy: -8.588
flat angles P-C4'-P energy: -3.683
tors. eta vs tors. theta energy: -5.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -77.175787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.175787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.175787 (E_RNA)
where:
Base-Base interactions energy: -38.833
where: short stacking energy: -28.774
Base-Backbone interact. energy: -0.020
local terms energy: -38.323420
where:
bonds (distance) C4'-P energy: -8.670
bonds (distance) P-C4' energy: -7.527
flat angles C4'-P-C4' energy: -6.295
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -8.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -53.224935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.224935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.224935 (E_RNA)
where:
Base-Base interactions energy: -20.347
where: short stacking energy: -6.966
Base-Backbone interact. energy: -0.554
local terms energy: -32.324547
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -9.534
flat angles C4'-P-C4' energy: -2.429
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -0.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -135.836761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.836761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.836761 (E_RNA)
where:
Base-Base interactions energy: -83.026
where: short stacking energy: -36.570
Base-Backbone interact. energy: -0.778
local terms energy: -52.032427
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -6.791
tors. eta vs tors. theta energy: -8.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -115.625975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.625975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.625975 (E_RNA)
where:
Base-Base interactions energy: -64.691
where: short stacking energy: -41.238
Base-Backbone interact. energy: -0.057
local terms energy: -50.877748
where:
bonds (distance) C4'-P energy: -8.762
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -10.986
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -10.407
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: 151
Temperature: 1.000000
Total energy: -97.975343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.975343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.975343 (E_RNA)
where:
Base-Base interactions energy: -49.701
where: short stacking energy: -38.448
Base-Backbone interact. energy: -0.547
local terms energy: -47.727415
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -8.134
flat angles C4'-P-C4' energy: -11.885
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -9.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -100.313960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.313960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.313960 (E_RNA)
where:
Base-Base interactions energy: -54.125
where: short stacking energy: -30.060
Base-Backbone interact. energy: -0.002
local terms energy: -46.186349
where:
bonds (distance) C4'-P energy: -9.745
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -7.484
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: 5, replica: 6
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -95.755652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.755652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.755652 (E_RNA)
where:
Base-Base interactions energy: -59.667
where: short stacking energy: -24.830
Base-Backbone interact. energy: -0.742
local terms energy: -35.346300
where:
bonds (distance) C4'-P energy: -7.630
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -8.173
flat angles P-C4'-P energy: -4.248
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: 6, replica: 1
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -66.289214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.289214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.289214 (E_RNA)
where:
Base-Base interactions energy: -27.594
where: short stacking energy: -19.005
Base-Backbone interact. energy: -0.084
local terms energy: -38.611122
where:
bonds (distance) C4'-P energy: -9.292
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -7.567
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -1.042
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: 10
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -60.372727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.372727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.372727 (E_RNA)
where:
Base-Base interactions energy: -19.595
where: short stacking energy: -19.021
Base-Backbone interact. energy: -0.121
local terms energy: -40.656690
where:
bonds (distance) C4'-P energy: -8.042
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -4.635
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: 151
Temperature: 1.250000
Total energy: -61.950010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.950010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.950010 (E_RNA)
where:
Base-Base interactions energy: -29.175
where: short stacking energy: -10.910
Base-Backbone interact. energy: -0.070
local terms energy: -32.705152
where:
bonds (distance) C4'-P energy: -7.337
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -8.178
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: 1.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -58.117176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.117176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.117176 (E_RNA)
where:
Base-Base interactions energy: -20.992
where: short stacking energy: -15.959
Base-Backbone interact. energy: -0.029
local terms energy: -37.096184
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -9.548
flat angles P-C4'-P energy: -4.294
tors. eta vs tors. theta energy: -0.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -62.530121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.530121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.530121 (E_RNA)
where:
Base-Base interactions energy: -27.667
where: short stacking energy: -14.931
Base-Backbone interact. energy: 1.825
local terms energy: -36.688556
where:
bonds (distance) C4'-P energy: -7.498
bonds (distance) P-C4' energy: -8.829
flat angles C4'-P-C4' energy: -7.382
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -5.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -118.069220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.069220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.069220 (E_RNA)
where:
Base-Base interactions energy: -66.033
where: short stacking energy: -41.230
Base-Backbone interact. energy: -0.057
local terms energy: -51.979573
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -11.224
flat angles C4'-P-C4' energy: -8.146
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -13.642
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: 2, replica: 9
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -136.859668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.859668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.859668 (E_RNA)
where:
Base-Base interactions energy: -90.466
where: short stacking energy: -36.140
Base-Backbone interact. energy: 1.045
local terms energy: -47.438825
where:
bonds (distance) C4'-P energy: -10.417
bonds (distance) P-C4' energy: -8.641
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -8.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -83.188612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.188612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.188612 (E_RNA)
where:
Base-Base interactions energy: -34.665
where: short stacking energy: -31.799
Base-Backbone interact. energy: -0.030
local terms energy: -48.493319
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -9.569
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -7.664
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: 152
Temperature: 1.050000
Total energy: -103.725307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.725307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.725307 (E_RNA)
where:
Base-Base interactions energy: -57.407
where: short stacking energy: -22.937
Base-Backbone interact. energy: -0.151
local terms energy: -46.167856
where:
bonds (distance) C4'-P energy: -10.193
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -10.059
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -70.229889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.229889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.229889 (E_RNA)
where:
Base-Base interactions energy: -30.949
where: short stacking energy: -14.977
Base-Backbone interact. energy: -0.130
local terms energy: -39.150674
where:
bonds (distance) C4'-P energy: -7.158
bonds (distance) P-C4' energy: -12.731
flat angles C4'-P-C4' energy: -7.214
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -4.449
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: 6, replica: 6
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -78.156501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.156501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.156501 (E_RNA)
where:
Base-Base interactions energy: -30.163
where: short stacking energy: -22.139
Base-Backbone interact. energy: -0.941
local terms energy: -47.051686
where:
bonds (distance) C4'-P energy: -9.109
bonds (distance) P-C4' energy: -11.497
flat angles C4'-P-C4' energy: -9.965
flat angles P-C4'-P energy: -4.859
tors. eta vs tors. theta energy: -11.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -67.282358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.282358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.282358 (E_RNA)
where:
Base-Base interactions energy: -18.356
where: short stacking energy: -18.356
Base-Backbone interact. energy: -0.099
local terms energy: -48.827750
where:
bonds (distance) C4'-P energy: -11.170
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -6.305
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: 8, replica: 7
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -63.809213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.809213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.809213 (E_RNA)
where:
Base-Base interactions energy: -25.859
where: short stacking energy: -10.568
Base-Backbone interact. energy: -1.144
local terms energy: -36.805898
where:
bonds (distance) C4'-P energy: -8.328
bonds (distance) P-C4' energy: -10.489
flat angles C4'-P-C4' energy: -9.989
flat angles P-C4'-P energy: -5.737
tors. eta vs tors. theta energy: -2.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -55.123197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.123197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.123197 (E_RNA)
where:
Base-Base interactions energy: -11.384
where: short stacking energy: -10.162
Base-Backbone interact. energy: -0.143
local terms energy: -43.595796
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -4.017
tors. eta vs tors. theta energy: -1.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -59.041917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.041917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.041917 (E_RNA)
where:
Base-Base interactions energy: -19.901
where: short stacking energy: -18.888
Base-Backbone interact. energy: -0.103
local terms energy: -39.038046
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -11.060
flat angles C4'-P-C4' energy: -9.574
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: -2.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -109.705020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.705020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.705020 (E_RNA)
where:
Base-Base interactions energy: -58.867
where: short stacking energy: -32.180
Base-Backbone interact. energy: -0.163
local terms energy: -50.675309
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -4.845
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: 2, replica: 9
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -125.064939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.064939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.064939 (E_RNA)
where:
Base-Base interactions energy: -80.798
where: short stacking energy: -33.574
Base-Backbone interact. energy: 1.288
local terms energy: -45.554732
where:
bonds (distance) C4'-P energy: -7.764
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -5.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -112.539330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.539330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.539330 (E_RNA)
where:
Base-Base interactions energy: -64.306
where: short stacking energy: -25.004
Base-Backbone interact. energy: -0.115
local terms energy: -48.118886
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -10.671
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -7.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -80.006172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.006172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.006172 (E_RNA)
where:
Base-Base interactions energy: -38.774
where: short stacking energy: -18.162
Base-Backbone interact. energy: -0.125
local terms energy: -41.107415
where:
bonds (distance) C4'-P energy: -7.933
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -10.196
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -3.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -66.021440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.021440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.021440 (E_RNA)
where:
Base-Base interactions energy: -22.245
where: short stacking energy: -21.047
Base-Backbone interact. energy: -0.094
local terms energy: -43.682228
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -9.411
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -3.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -70.197348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.197348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.197348 (E_RNA)
where:
Base-Base interactions energy: -27.029
where: short stacking energy: -27.029
Base-Backbone interact. energy: -0.014
local terms energy: -43.154149
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -8.872
flat angles P-C4'-P energy: -5.373
tors. eta vs tors. theta energy: -3.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -63.206819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.206819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.206819 (E_RNA)
where:
Base-Base interactions energy: -24.698
where: short stacking energy: -11.694
Base-Backbone interact. energy: 2.193
local terms energy: -40.701262
where:
bonds (distance) C4'-P energy: -10.595
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: 2.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -58.884917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.884917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.884917 (E_RNA)
where:
Base-Base interactions energy: -17.399
where: short stacking energy: -14.389
Base-Backbone interact. energy: -0.007
local terms energy: -41.479150
where:
bonds (distance) C4'-P energy: -7.491
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -9.538
flat angles P-C4'-P energy: -5.892
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: 153
Temperature: 1.300000
Total energy: -63.425757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.425757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.425757 (E_RNA)
where:
Base-Base interactions energy: -32.016
where: short stacking energy: -12.821
Base-Backbone interact. energy: 0.495
local terms energy: -31.904300
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -6.479
flat angles C4'-P-C4' energy: -5.799
flat angles P-C4'-P energy: -4.975
tors. eta vs tors. theta energy: -3.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -52.528442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.528442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.528442 (E_RNA)
where:
Base-Base interactions energy: -14.683
where: short stacking energy: -12.529
Base-Backbone interact. energy: -0.205
local terms energy: -37.640210
where:
bonds (distance) C4'-P energy: -9.370
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -9.985
flat angles P-C4'-P energy: -4.444
tors. eta vs tors. theta energy: -1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -129.649531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.649531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.649531 (E_RNA)
where:
Base-Base interactions energy: -85.110
where: short stacking energy: -33.797
Base-Backbone interact. energy: 0.260
local terms energy: -44.799030
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -9.299
flat angles C4'-P-C4' energy: -7.874
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -6.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -96.444752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.444752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.444752 (E_RNA)
where:
Base-Base interactions energy: -46.814
where: short stacking energy: -26.774
Base-Backbone interact. energy: 0.086
local terms energy: -49.716650
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -10.264
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -7.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -110.106492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.106492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.106492 (E_RNA)
where:
Base-Base interactions energy: -69.231
where: short stacking energy: -37.281
Base-Backbone interact. energy: -0.677
local terms energy: -40.197922
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -7.142
flat angles P-C4'-P energy: -4.366
tors. eta vs tors. theta energy: -5.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -71.891964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.891964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.891964 (E_RNA)
where:
Base-Base interactions energy: -31.644
where: short stacking energy: -20.415
Base-Backbone interact. energy: -1.221
local terms energy: -39.027458
where:
bonds (distance) C4'-P energy: -7.801
bonds (distance) P-C4' energy: -10.835
flat angles C4'-P-C4' energy: -9.675
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: -3.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -76.887087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.887087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.887087 (E_RNA)
where:
Base-Base interactions energy: -28.725
where: short stacking energy: -22.753
Base-Backbone interact. energy: -0.022
local terms energy: -48.139562
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -9.789
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -5.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -66.507990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.507990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.507990 (E_RNA)
where:
Base-Base interactions energy: -20.689
where: short stacking energy: -20.689
Base-Backbone interact. energy: -0.217
local terms energy: -45.601990
where:
bonds (distance) C4'-P energy: -9.439
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -10.411
flat angles P-C4'-P energy: -6.855
tors. eta vs tors. theta energy: -5.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -65.071674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.071674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.071674 (E_RNA)
where:
Base-Base interactions energy: -25.091
where: short stacking energy: -24.956
Base-Backbone interact. energy: -0.030
local terms energy: -39.950782
where:
bonds (distance) C4'-P energy: -9.504
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -9.679
flat angles P-C4'-P energy: -7.191
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: 2
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -59.543019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.543019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.543019 (E_RNA)
where:
Base-Base interactions energy: -19.462
where: short stacking energy: -11.584
Base-Backbone interact. energy: 0.917
local terms energy: -40.998172
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -10.782
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: 4.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -59.739509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.739509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.739509 (E_RNA)
where:
Base-Base interactions energy: -18.252
where: short stacking energy: -17.594
Base-Backbone interact. energy: -0.134
local terms energy: -41.353344
where:
bonds (distance) C4'-P energy: -10.384
bonds (distance) P-C4' energy: -10.345
flat angles C4'-P-C4' energy: -8.386
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -4.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -60.102042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.102042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.102042 (E_RNA)
where:
Base-Base interactions energy: -25.508
where: short stacking energy: -16.720
Base-Backbone interact. energy: 0.425
local terms energy: -35.018614
where:
bonds (distance) C4'-P energy: -9.814
bonds (distance) P-C4' energy: -9.734
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -2.015
tors. eta vs tors. theta energy: -0.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -132.394244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.394244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.394244 (E_RNA)
where:
Base-Base interactions energy: -83.674
where: short stacking energy: -25.882
Base-Backbone interact. energy: -0.972
local terms energy: -47.747847
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -4.304
tors. eta vs tors. theta energy: -7.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -117.952307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.952307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.952307 (E_RNA)
where:
Base-Base interactions energy: -70.753
where: short stacking energy: -29.259
Base-Backbone interact. energy: -0.878
local terms energy: -46.321612
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -11.278
flat angles C4'-P-C4' energy: -9.749
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -7.366
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: 4
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -84.380656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.380656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.380656 (E_RNA)
where:
Base-Base interactions energy: -35.909
where: short stacking energy: -34.353
Base-Backbone interact. energy: -0.025
local terms energy: -48.446720
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -10.760
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -2.246
tors. eta vs tors. theta energy: -12.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -77.844604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.844604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.844604 (E_RNA)
where:
Base-Base interactions energy: -33.355
where: short stacking energy: -21.216
Base-Backbone interact. energy: -0.276
local terms energy: -44.213050
where:
bonds (distance) C4'-P energy: -7.383
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -3.112
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: 10
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -67.519186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.519186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.519186 (E_RNA)
where:
Base-Base interactions energy: -26.721
where: short stacking energy: -26.721
Base-Backbone interact. energy: -0.094
local terms energy: -40.704528
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -9.702
flat angles P-C4'-P energy: -4.071
tors. eta vs tors. theta energy: -5.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -66.737550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.737550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.737550 (E_RNA)
where:
Base-Base interactions energy: -29.990
where: short stacking energy: -18.194
Base-Backbone interact. energy: -0.535
local terms energy: -36.212823
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -7.508
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: 0.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -57.826146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.826146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.826146 (E_RNA)
where:
Base-Base interactions energy: -19.184
where: short stacking energy: -10.033
Base-Backbone interact. energy: -0.055
local terms energy: -38.588062
where:
bonds (distance) C4'-P energy: -9.522
bonds (distance) P-C4' energy: -10.887
flat angles C4'-P-C4' energy: -8.695
flat angles P-C4'-P energy: -6.361
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: 8, replica: 3
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -66.674193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.674193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.674193 (E_RNA)
where:
Base-Base interactions energy: -25.092
where: short stacking energy: -19.309
Base-Backbone interact. energy: -0.007
local terms energy: -41.575088
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -7.540
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -3.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -56.045619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.045619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.045619 (E_RNA)
where:
Base-Base interactions energy: -21.201
where: short stacking energy: -18.282
Base-Backbone interact. energy: -0.216
local terms energy: -34.628027
where:
bonds (distance) C4'-P energy: -9.357
bonds (distance) P-C4' energy: -8.628
flat angles C4'-P-C4' energy: -9.286
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: 1.258
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: 7
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -54.598252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.598252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.598252 (E_RNA)
where:
Base-Base interactions energy: -12.412
where: short stacking energy: -9.547
Base-Backbone interact. energy: -0.043
local terms energy: -42.143806
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -10.554
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: 0.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -135.195889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.195889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.195889 (E_RNA)
where:
Base-Base interactions energy: -92.560
where: short stacking energy: -32.383
Base-Backbone interact. energy: -0.673
local terms energy: -41.963249
where:
bonds (distance) C4'-P energy: -7.946
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -5.193
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -8.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -113.497523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.497523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.497523 (E_RNA)
where:
Base-Base interactions energy: -66.661
where: short stacking energy: -23.823
Base-Backbone interact. energy: -1.704
local terms energy: -45.132923
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -10.524
flat angles C4'-P-C4' energy: -9.006
flat angles P-C4'-P energy: -5.612
tors. eta vs tors. theta energy: -7.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -75.847697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.847697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.847697 (E_RNA)
where:
Base-Base interactions energy: -43.272
where: short stacking energy: -21.391
Base-Backbone interact. energy: -0.190
local terms energy: -32.385982
where:
bonds (distance) C4'-P energy: -9.928
bonds (distance) P-C4' energy: -9.343
flat angles C4'-P-C4' energy: -10.350
flat angles P-C4'-P energy: -2.430
tors. eta vs tors. theta energy: -0.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -77.066895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.066895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.066895 (E_RNA)
where:
Base-Base interactions energy: -32.435
where: short stacking energy: -21.241
Base-Backbone interact. energy: -0.094
local terms energy: -44.538072
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -5.328
tors. eta vs tors. theta energy: -1.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -70.431642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.431642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.431642 (E_RNA)
where:
Base-Base interactions energy: -37.840
where: short stacking energy: -24.388
Base-Backbone interact. energy: -0.035
local terms energy: -32.557625
where:
bonds (distance) C4'-P energy: -7.826
bonds (distance) P-C4' energy: -9.222
flat angles C4'-P-C4' energy: -8.543
flat angles P-C4'-P energy: -2.448
tors. eta vs tors. theta energy: -4.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -63.948923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.948923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.948923 (E_RNA)
where:
Base-Base interactions energy: -25.861
where: short stacking energy: -11.684
Base-Backbone interact. energy: -0.624
local terms energy: -37.463697
where:
bonds (distance) C4'-P energy: -8.802
bonds (distance) P-C4' energy: -12.072
flat angles C4'-P-C4' energy: -4.683
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -2.393
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: 3
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -58.665881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.665881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.665881 (E_RNA)
where:
Base-Base interactions energy: -19.114
where: short stacking energy: -18.889
Base-Backbone interact. energy: 0.071
local terms energy: -39.623093
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -8.206
flat angles C4'-P-C4' energy: -7.204
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -3.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -65.207993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.207993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.207993 (E_RNA)
where:
Base-Base interactions energy: -23.086
where: short stacking energy: -18.150
Base-Backbone interact. energy: -0.932
local terms energy: -41.189801
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -7.710
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -6.326
tors. eta vs tors. theta energy: -4.974
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: 7
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -56.412273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.412273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.412273 (E_RNA)
where:
Base-Base interactions energy: -20.924
where: short stacking energy: -19.266
Base-Backbone interact. energy: -0.811
local terms energy: -34.677704
where:
bonds (distance) C4'-P energy: -9.210
bonds (distance) P-C4' energy: -8.995
flat angles C4'-P-C4' energy: -10.241
flat angles P-C4'-P energy: -8.494
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: 10, replica: 2
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -53.059631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.059631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.059631 (E_RNA)
where:
Base-Base interactions energy: -14.665
where: short stacking energy: -14.665
Base-Backbone interact. energy: -0.075
local terms energy: -38.320134
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -8.443
flat angles C4'-P-C4' energy: -7.222
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -5.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -136.160345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.160345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.160345 (E_RNA)
where:
Base-Base interactions energy: -89.736
where: short stacking energy: -31.308
Base-Backbone interact. energy: -0.254
local terms energy: -46.170119
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -5.430
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -6.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -95.943196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.943196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.943196 (E_RNA)
where:
Base-Base interactions energy: -50.712
where: short stacking energy: -29.575
Base-Backbone interact. energy: -0.021
local terms energy: -45.210158
where:
bonds (distance) C4'-P energy: -6.998
bonds (distance) P-C4' energy: -11.367
flat angles C4'-P-C4' energy: -8.642
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -10.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -96.315477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.315477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.315477 (E_RNA)
where:
Base-Base interactions energy: -49.435
where: short stacking energy: -26.033
Base-Backbone interact. energy: -0.055
local terms energy: -46.825348
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -9.034
flat angles P-C4'-P energy: -5.491
tors. eta vs tors. theta energy: -9.047
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: 6
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -96.272290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.272290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.272290 (E_RNA)
where:
Base-Base interactions energy: -46.591
where: short stacking energy: -27.031
Base-Backbone interact. energy: -0.054
local terms energy: -49.627659
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -10.008
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -6.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -74.175622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.175622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.175622 (E_RNA)
where:
Base-Base interactions energy: -42.593
where: short stacking energy: -17.243
Base-Backbone interact. energy: -0.281
local terms energy: -31.302134
where:
bonds (distance) C4'-P energy: -7.734
bonds (distance) P-C4' energy: -9.947
flat angles C4'-P-C4' energy: -10.358
flat angles P-C4'-P energy: -1.335
tors. eta vs tors. theta energy: -1.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -69.609538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.609538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.609538 (E_RNA)
where:
Base-Base interactions energy: -35.698
where: short stacking energy: -12.749
Base-Backbone interact. energy: 0.210
local terms energy: -34.121936
where:
bonds (distance) C4'-P energy: -8.530
bonds (distance) P-C4' energy: -9.940
flat angles C4'-P-C4' energy: -8.906
flat angles P-C4'-P energy: -7.935
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: 7, replica: 3
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -64.744321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.744321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.744321 (E_RNA)
where:
Base-Base interactions energy: -25.654
where: short stacking energy: -16.297
Base-Backbone interact. energy: -0.106
local terms energy: -38.984568
where:
bonds (distance) C4'-P energy: -10.289
bonds (distance) P-C4' energy: -11.751
flat angles C4'-P-C4' energy: -7.479
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: -3.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -63.453191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.453191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.453191 (E_RNA)
where:
Base-Base interactions energy: -19.460
where: short stacking energy: -19.447
Base-Backbone interact. energy: 0.196
local terms energy: -44.189603
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -0.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -68.383244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.383244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.383244 (E_RNA)
where:
Base-Base interactions energy: -26.588
where: short stacking energy: -21.437
Base-Backbone interact. energy: 0.141
local terms energy: -41.935721
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -5.846
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -4.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -52.622933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.622933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.622933 (E_RNA)
where:
Base-Base interactions energy: -24.894
where: short stacking energy: -7.947
Base-Backbone interact. energy: -0.090
local terms energy: -27.639295
where:
bonds (distance) C4'-P energy: -8.331
bonds (distance) P-C4' energy: -9.119
flat angles C4'-P-C4' energy: -9.630
flat angles P-C4'-P energy: -4.299
tors. eta vs tors. theta energy: 3.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -132.165463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.165463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.165463 (E_RNA)
where:
Base-Base interactions energy: -90.269
where: short stacking energy: -30.469
Base-Backbone interact. energy: -0.560
local terms energy: -41.336676
where:
bonds (distance) C4'-P energy: -7.934
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -8.694
flat angles P-C4'-P energy: -5.309
tors. eta vs tors. theta energy: -8.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -99.969704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.969704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.969704 (E_RNA)
where:
Base-Base interactions energy: -54.915
where: short stacking energy: -29.788
Base-Backbone interact. energy: -0.000
local terms energy: -45.054328
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -10.479
flat angles C4'-P-C4' energy: -9.844
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: -7.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -85.986333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.986333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.986333 (E_RNA)
where:
Base-Base interactions energy: -45.228
where: short stacking energy: -23.003
Base-Backbone interact. energy: -0.098
local terms energy: -40.659945
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -6.683
flat angles P-C4'-P energy: -6.060
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: 4, replica: 5
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -75.564442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.564442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.564442 (E_RNA)
where:
Base-Base interactions energy: -29.720
where: short stacking energy: -22.748
Base-Backbone interact. energy: -0.136
local terms energy: -45.708075
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -5.785
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: 5, replica: 10
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -72.957240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.957240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.957240 (E_RNA)
where:
Base-Base interactions energy: -26.894
where: short stacking energy: -25.490
Base-Backbone interact. energy: -0.001
local terms energy: -46.062748
where:
bonds (distance) C4'-P energy: -8.111
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -9.883
flat angles P-C4'-P energy: -6.249
tors. eta vs tors. theta energy: -8.290
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: 158
Temperature: 1.150000
Total energy: -75.670904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.670904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.670904 (E_RNA)
where:
Base-Base interactions energy: -40.629
where: short stacking energy: -30.537
Base-Backbone interact. energy: -0.017
local terms energy: -35.024415
where:
bonds (distance) C4'-P energy: -9.295
bonds (distance) P-C4' energy: -7.543
flat angles C4'-P-C4' energy: -10.481
flat angles P-C4'-P energy: -4.910
tors. eta vs tors. theta energy: -2.795
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: 7, replica: 7
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -62.360774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.360774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.360774 (E_RNA)
where:
Base-Base interactions energy: -21.742
where: short stacking energy: -18.199
Base-Backbone interact. energy: -0.746
local terms energy: -39.872082
where:
bonds (distance) C4'-P energy: -6.849
bonds (distance) P-C4' energy: -11.075
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -5.684
tors. eta vs tors. theta energy: -3.717
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: 3
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -63.002188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.002188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.002188 (E_RNA)
where:
Base-Base interactions energy: -23.152
where: short stacking energy: -13.364
Base-Backbone interact. energy: -0.025
local terms energy: -39.824636
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -8.061
flat angles P-C4'-P energy: -4.923
tors. eta vs tors. theta energy: -3.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -62.239870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.239870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.239870 (E_RNA)
where:
Base-Base interactions energy: -31.744
where: short stacking energy: -17.447
Base-Backbone interact. energy: 1.231
local terms energy: -31.726165
where:
bonds (distance) C4'-P energy: -8.107
bonds (distance) P-C4' energy: -11.450
flat angles C4'-P-C4' energy: -6.935
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: 1.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -53.427797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.427797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.427797 (E_RNA)
where:
Base-Base interactions energy: -14.234
where: short stacking energy: -13.867
Base-Backbone interact. energy: -0.090
local terms energy: -39.104343
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -10.388
flat angles C4'-P-C4' energy: -8.639
flat angles P-C4'-P energy: -6.412
tors. eta vs tors. theta energy: -1.418
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: 1, replica: 9
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -141.943909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.943909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.943909 (E_RNA)
where:
Base-Base interactions energy: -89.237
where: short stacking energy: -38.029
Base-Backbone interact. energy: 0.520
local terms energy: -53.226913
where:
bonds (distance) C4'-P energy: -10.516
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -8.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -117.993159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.993159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.993159 (E_RNA)
where:
Base-Base interactions energy: -68.578
where: short stacking energy: -35.451
Base-Backbone interact. energy: -0.012
local terms energy: -49.403512
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -9.619
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -5.237
tors. eta vs tors. theta energy: -10.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -74.014423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.014423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.014423 (E_RNA)
where:
Base-Base interactions energy: -28.412
where: short stacking energy: -21.148
Base-Backbone interact. energy: -0.144
local terms energy: -45.458383
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -8.320
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -7.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -71.660354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.660354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.660354 (E_RNA)
where:
Base-Base interactions energy: -30.731
where: short stacking energy: -22.031
Base-Backbone interact. energy: -1.027
local terms energy: -39.901837
where:
bonds (distance) C4'-P energy: -5.673
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -2.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -69.862554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.862554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.862554 (E_RNA)
where:
Base-Base interactions energy: -26.028
where: short stacking energy: -26.028
Base-Backbone interact. energy: -0.193
local terms energy: -43.641342
where:
bonds (distance) C4'-P energy: -9.060
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -10.407
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -65.984709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.984709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.984709 (E_RNA)
where:
Base-Base interactions energy: -29.056
where: short stacking energy: -21.906
Base-Backbone interact. energy: -0.061
local terms energy: -36.867155
where:
bonds (distance) C4'-P energy: -8.911
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -8.529
flat angles P-C4'-P energy: -2.553
tors. eta vs tors. theta energy: -5.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -68.542604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.542604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.542604 (E_RNA)
where:
Base-Base interactions energy: -28.015
where: short stacking energy: -15.837
Base-Backbone interact. energy: -0.249
local terms energy: -40.278949
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -11.243
flat angles C4'-P-C4' energy: -8.379
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -60.589209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.589209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.589209 (E_RNA)
where:
Base-Base interactions energy: -24.440
where: short stacking energy: -15.891
Base-Backbone interact. energy: -0.115
local terms energy: -36.034272
where:
bonds (distance) C4'-P energy: -6.423
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -6.792
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -68.256447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.256447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.256447 (E_RNA)
where:
Base-Base interactions energy: -33.026
where: short stacking energy: -18.188
Base-Backbone interact. energy: -0.062
local terms energy: -35.167733
where:
bonds (distance) C4'-P energy: -4.674
bonds (distance) P-C4' energy: -11.236
flat angles C4'-P-C4' energy: -9.915
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: -3.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -55.120738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.120738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.120738 (E_RNA)
where:
Base-Base interactions energy: -18.543
where: short stacking energy: -9.702
Base-Backbone interact. energy: -0.116
local terms energy: -36.461951
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -9.577
flat angles C4'-P-C4' energy: -8.993
flat angles P-C4'-P energy: -9.209
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: 1, replica: 9
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -143.224623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.224623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.224623 (E_RNA)
where:
Base-Base interactions energy: -90.588
where: short stacking energy: -35.353
Base-Backbone interact. energy: -0.841
local terms energy: -51.795486
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -9.498
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -10.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -102.436369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.436369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.436369 (E_RNA)
where:
Base-Base interactions energy: -56.492
where: short stacking energy: -23.721
Base-Backbone interact. energy: -0.269
local terms energy: -45.674997
where:
bonds (distance) C4'-P energy: -9.096
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -10.181
flat angles P-C4'-P energy: -6.270
tors. eta vs tors. theta energy: -8.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -104.480332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.480332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.480332 (E_RNA)
where:
Base-Base interactions energy: -64.688
where: short stacking energy: -26.921
Base-Backbone interact. energy: 0.482
local terms energy: -40.274737
where:
bonds (distance) C4'-P energy: -7.793
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -6.175
tors. eta vs tors. theta energy: -3.239
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: 10
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -82.480303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.480303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.480303 (E_RNA)
where:
Base-Base interactions energy: -30.343
where: short stacking energy: -27.235
Base-Backbone interact. energy: -0.011
local terms energy: -52.126024
where:
bonds (distance) C4'-P energy: -11.195
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -6.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -76.804941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.804941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.804941 (E_RNA)
where:
Base-Base interactions energy: -36.096
where: short stacking energy: -22.089
Base-Backbone interact. energy: -0.106
local terms energy: -40.602322
where:
bonds (distance) C4'-P energy: -5.088
bonds (distance) P-C4' energy: -9.573
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -7.770
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: 5
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -64.810332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.810332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.810332 (E_RNA)
where:
Base-Base interactions energy: -23.431
where: short stacking energy: -23.412
Base-Backbone interact. energy: -0.096
local terms energy: -41.282896
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -9.936
flat angles P-C4'-P energy: -3.730
tors. eta vs tors. theta energy: -5.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -80.153412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.153412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.153412 (E_RNA)
where:
Base-Base interactions energy: -42.584
where: short stacking energy: -21.858
Base-Backbone interact. energy: -0.037
local terms energy: -37.532510
where:
bonds (distance) C4'-P energy: -5.094
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -10.449
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: 0.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -64.030660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.030660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.030660 (E_RNA)
where:
Base-Base interactions energy: -27.299
where: short stacking energy: -17.951
Base-Backbone interact. energy: -0.017
local terms energy: -36.714757
where:
bonds (distance) C4'-P energy: -5.201
bonds (distance) P-C4' energy: -11.359
flat angles C4'-P-C4' energy: -9.743
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: -3.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -56.438022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.438022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.438022 (E_RNA)
where:
Base-Base interactions energy: -22.649
where: short stacking energy: -19.010
Base-Backbone interact. energy: -0.007
local terms energy: -33.781857
where:
bonds (distance) C4'-P energy: -8.127
bonds (distance) P-C4' energy: -7.984
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -3.005
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: 1
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -55.000720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.000720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.000720 (E_RNA)
where:
Base-Base interactions energy: -28.188
where: short stacking energy: -7.503
Base-Backbone interact. energy: 0.005
local terms energy: -26.818110
where:
bonds (distance) C4'-P energy: -8.204
bonds (distance) P-C4' energy: -10.394
flat angles C4'-P-C4' energy: -9.480
flat angles P-C4'-P energy: -3.035
tors. eta vs tors. theta energy: 4.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -144.810233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.810233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.810233 (E_RNA)
where:
Base-Base interactions energy: -97.216
where: short stacking energy: -37.684
Base-Backbone interact. energy: 0.437
local terms energy: -48.031422
where:
bonds (distance) C4'-P energy: -8.501
bonds (distance) P-C4' energy: -10.354
flat angles C4'-P-C4' energy: -10.143
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -9.104
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: 6
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -114.047254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.047254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.047254 (E_RNA)
where:
Base-Base interactions energy: -65.069
where: short stacking energy: -30.639
Base-Backbone interact. energy: -0.614
local terms energy: -48.364590
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -12.646
flat angles P-C4'-P energy: -6.599
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: 3, replica: 8
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -88.930390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.930390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.930390 (E_RNA)
where:
Base-Base interactions energy: -40.197
where: short stacking energy: -33.122
Base-Backbone interact. energy: -0.031
local terms energy: -48.701493
where:
bonds (distance) C4'-P energy: -9.214
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -10.285
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -9.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -96.941424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.941424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.941424 (E_RNA)
where:
Base-Base interactions energy: -53.061
where: short stacking energy: -30.066
Base-Backbone interact. energy: -0.014
local terms energy: -43.866872
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -10.014
flat angles P-C4'-P energy: -4.876
tors. eta vs tors. theta energy: -5.151
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: 5, replica: 10
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -76.578842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.578842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.578842 (E_RNA)
where:
Base-Base interactions energy: -32.485
where: short stacking energy: -27.376
Base-Backbone interact. energy: -0.178
local terms energy: -43.916612
where:
bonds (distance) C4'-P energy: -8.405
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -6.175
tors. eta vs tors. theta energy: -5.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -66.782835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.782835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.782835 (E_RNA)
where:
Base-Base interactions energy: -26.747
where: short stacking energy: -18.248
Base-Backbone interact. energy: -0.092
local terms energy: -39.943325
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -10.693
flat angles P-C4'-P energy: -4.406
tors. eta vs tors. theta energy: -0.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -68.210324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.210324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.210324 (E_RNA)
where:
Base-Base interactions energy: -32.557
where: short stacking energy: -18.490
Base-Backbone interact. energy: -0.029
local terms energy: -35.624741
where:
bonds (distance) C4'-P energy: -8.592
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -1.490
tors. eta vs tors. theta energy: -1.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -67.190076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.190076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.190076 (E_RNA)
where:
Base-Base interactions energy: -36.964
where: short stacking energy: -20.069
Base-Backbone interact. energy: -0.042
local terms energy: -30.184457
where:
bonds (distance) C4'-P energy: -6.165
bonds (distance) P-C4' energy: -9.715
flat angles C4'-P-C4' energy: -9.721
flat angles P-C4'-P energy: -1.682
tors. eta vs tors. theta energy: -2.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -56.620444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.620444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.620444 (E_RNA)
where:
Base-Base interactions energy: -22.090
where: short stacking energy: -19.033
Base-Backbone interact. energy: -0.013
local terms energy: -34.517497
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -7.585
flat angles P-C4'-P energy: -2.656
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: 10, replica: 1
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -53.361545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.361545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.361545 (E_RNA)
where:
Base-Base interactions energy: -16.824
where: short stacking energy: -8.062
Base-Backbone interact. energy: -0.238
local terms energy: -36.299910
where:
bonds (distance) C4'-P energy: -8.492
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -8.057
flat angles P-C4'-P energy: -4.010
tors. eta vs tors. theta energy: -3.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -137.239514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.239514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.239514 (E_RNA)
where:
Base-Base interactions energy: -82.350
where: short stacking energy: -35.619
Base-Backbone interact. energy: 0.008
local terms energy: -54.898281
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -11.035
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -10.419
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: 6
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -117.085157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.085157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.085157 (E_RNA)
where:
Base-Base interactions energy: -74.862
where: short stacking energy: -27.237
Base-Backbone interact. energy: -0.909
local terms energy: -41.313984
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -8.723
flat angles C4'-P-C4' energy: -9.290
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -2.932
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: 3, replica: 7
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -89.842360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.842360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.842360 (E_RNA)
where:
Base-Base interactions energy: -41.132
where: short stacking energy: -28.125
Base-Backbone interact. energy: -0.047
local terms energy: -48.664006
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -10.926
flat angles C4'-P-C4' energy: -10.631
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -8.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -79.832431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.832431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.832431 (E_RNA)
where:
Base-Base interactions energy: -33.249
where: short stacking energy: -28.585
Base-Backbone interact. energy: -0.007
local terms energy: -46.576328
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -9.122
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -8.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -67.771589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.771589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.771589 (E_RNA)
where:
Base-Base interactions energy: -31.614
where: short stacking energy: -24.299
Base-Backbone interact. energy: -0.009
local terms energy: -36.148657
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -5.084
flat angles P-C4'-P energy: -5.042
tors. eta vs tors. theta energy: -1.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -81.466119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.466119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.466119 (E_RNA)
where:
Base-Base interactions energy: -34.721
where: short stacking energy: -20.835
Base-Backbone interact. energy: -0.694
local terms energy: -46.051778
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -10.163
flat angles P-C4'-P energy: -5.900
tors. eta vs tors. theta energy: -5.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -71.005972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.005972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.005972 (E_RNA)
where:
Base-Base interactions energy: -30.754
where: short stacking energy: -12.347
Base-Backbone interact. energy: -0.431
local terms energy: -39.820562
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -10.370
flat angles C4'-P-C4' energy: -9.430
flat angles P-C4'-P energy: -7.346
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: 8, replica: 3
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -66.798888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.798888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.798888 (E_RNA)
where:
Base-Base interactions energy: -28.341
where: short stacking energy: -21.153
Base-Backbone interact. energy: -0.419
local terms energy: -38.039189
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -10.214
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -5.017
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: 9, replica: 2
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -65.259430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.259430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.259430 (E_RNA)
where:
Base-Base interactions energy: -24.997
where: short stacking energy: -23.688
Base-Backbone interact. energy: -0.135
local terms energy: -40.127733
where:
bonds (distance) C4'-P energy: -8.417
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -9.520
flat angles P-C4'-P energy: -4.767
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: 10, replica: 1
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -61.173875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.173875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.173875 (E_RNA)
where:
Base-Base interactions energy: -21.809
where: short stacking energy: -16.984
Base-Backbone interact. energy: -0.053
local terms energy: -39.312454
where:
bonds (distance) C4'-P energy: -10.211
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -5.828
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -4.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -137.024282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.024282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.024282 (E_RNA)
where:
Base-Base interactions energy: -90.862
where: short stacking energy: -38.731
Base-Backbone interact. energy: -0.138
local terms energy: -46.024710
where:
bonds (distance) C4'-P energy: -9.776
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -10.327
flat angles P-C4'-P energy: -6.574
tors. eta vs tors. theta energy: -6.924
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: 6
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -109.692708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.692708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.692708 (E_RNA)
where:
Base-Base interactions energy: -72.780
where: short stacking energy: -26.338
Base-Backbone interact. energy: -0.013
local terms energy: -36.899067
where:
bonds (distance) C4'-P energy: -10.049
bonds (distance) P-C4' energy: -7.953
flat angles C4'-P-C4' energy: -9.113
flat angles P-C4'-P energy: -4.429
tors. eta vs tors. theta energy: -5.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -130.919523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.919523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.919523 (E_RNA)
where:
Base-Base interactions energy: -86.198
where: short stacking energy: -29.742
Base-Backbone interact. energy: -0.121
local terms energy: -44.599825
where:
bonds (distance) C4'-P energy: -10.355
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -4.718
tors. eta vs tors. theta energy: -4.235
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: 10
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -75.253453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.253453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.253453 (E_RNA)
where:
Base-Base interactions energy: -30.736
where: short stacking energy: -19.189
Base-Backbone interact. energy: -0.109
local terms energy: -44.407902
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -1.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -87.396769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.396769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.396769 (E_RNA)
where:
Base-Base interactions energy: -44.801
where: short stacking energy: -26.301
Base-Backbone interact. energy: -0.037
local terms energy: -42.558344
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -9.069
flat angles C4'-P-C4' energy: -7.855
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -6.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -64.998495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.998495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.998495 (E_RNA)
where:
Base-Base interactions energy: -23.161
where: short stacking energy: -22.420
Base-Backbone interact. energy: -0.123
local terms energy: -41.715030
where:
bonds (distance) C4'-P energy: -9.966
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -7.570
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: 7, replica: 5
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -63.993358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.993358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.993358 (E_RNA)
where:
Base-Base interactions energy: -27.557
where: short stacking energy: -27.499
Base-Backbone interact. energy: -0.007
local terms energy: -36.429005
where:
bonds (distance) C4'-P energy: -10.584
bonds (distance) P-C4' energy: -10.221
flat angles C4'-P-C4' energy: -4.975
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -3.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -62.915119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.915119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.915119 (E_RNA)
where:
Base-Base interactions energy: -22.519
where: short stacking energy: -20.640
Base-Backbone interact. energy: -0.161
local terms energy: -40.234786
where:
bonds (distance) C4'-P energy: -7.950
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -10.791
flat angles P-C4'-P energy: -5.292
tors. eta vs tors. theta energy: -4.225
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: 2
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -54.263146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.263146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.263146 (E_RNA)
where:
Base-Base interactions energy: -23.870
where: short stacking energy: -21.255
Base-Backbone interact. energy: -0.163
local terms energy: -30.229760
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -6.552
flat angles C4'-P-C4' energy: -8.358
flat angles P-C4'-P energy: -2.784
tors. eta vs tors. theta energy: -1.126
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: 1
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -54.519529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.519529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.519529 (E_RNA)
where:
Base-Base interactions energy: -17.065
where: short stacking energy: -17.065
Base-Backbone interact. energy: -0.115
local terms energy: -37.339657
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -6.260
flat angles P-C4'-P energy: -4.321
tors. eta vs tors. theta energy: -2.816
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: 1, replica: 9
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -140.095876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.095876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.095876 (E_RNA)
where:
Base-Base interactions energy: -86.509
where: short stacking energy: -31.283
Base-Backbone interact. energy: -0.694
local terms energy: -52.893547
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -7.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -115.949667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.949667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.949667 (E_RNA)
where:
Base-Base interactions energy: -71.499
where: short stacking energy: -42.714
Base-Backbone interact. energy: -0.032
local terms energy: -44.419213
where:
bonds (distance) C4'-P energy: -9.465
bonds (distance) P-C4' energy: -8.249
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -2.759
tors. eta vs tors. theta energy: -11.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -122.239195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.239195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.239195 (E_RNA)
where:
Base-Base interactions energy: -79.356
where: short stacking energy: -22.087
Base-Backbone interact. energy: -0.491
local terms energy: -42.392628
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -2.350
tors. eta vs tors. theta energy: -4.998
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: 164
Temperature: 1.050000
Total energy: -85.232376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.232376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.232376 (E_RNA)
where:
Base-Base interactions energy: -46.488
where: short stacking energy: -21.950
Base-Backbone interact. energy: -0.066
local terms energy: -38.678258
where:
bonds (distance) C4'-P energy: -7.205
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -1.909
tors. eta vs tors. theta energy: -5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -69.231556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.231556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.231556 (E_RNA)
where:
Base-Base interactions energy: -25.843
where: short stacking energy: -26.268
Base-Backbone interact. energy: -0.043
local terms energy: -43.345224
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -11.195
flat angles P-C4'-P energy: -5.980
tors. eta vs tors. theta energy: -5.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -63.249294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.249294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.249294 (E_RNA)
where:
Base-Base interactions energy: -28.341
where: short stacking energy: -17.662
Base-Backbone interact. energy: 0.042
local terms energy: -34.949637
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -10.737
flat angles C4'-P-C4' energy: -6.055
flat angles P-C4'-P energy: -4.306
tors. eta vs tors. theta energy: -1.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -68.994831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.994831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.994831 (E_RNA)
where:
Base-Base interactions energy: -26.631
where: short stacking energy: -23.739
Base-Backbone interact. energy: -0.106
local terms energy: -42.257421
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -7.791
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -5.054
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: 5
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -56.053541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.053541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.053541 (E_RNA)
where:
Base-Base interactions energy: -22.731
where: short stacking energy: -22.489
Base-Backbone interact. energy: -0.007
local terms energy: -33.315514
where:
bonds (distance) C4'-P energy: -6.120
bonds (distance) P-C4' energy: -10.067
flat angles C4'-P-C4' energy: -9.403
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: -0.766
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: 9, replica: 1
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -50.382336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.382336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.382336 (E_RNA)
where:
Base-Base interactions energy: -17.919
where: short stacking energy: -13.837
Base-Backbone interact. energy: -0.110
local terms energy: -32.353098
where:
bonds (distance) C4'-P energy: -4.790
bonds (distance) P-C4' energy: -8.159
flat angles C4'-P-C4' energy: -8.986
flat angles P-C4'-P energy: -8.078
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: 10, replica: 2
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -54.307165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.307165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.307165 (E_RNA)
where:
Base-Base interactions energy: -20.543
where: short stacking energy: -13.095
Base-Backbone interact. energy: -0.051
local terms energy: -33.712877
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -10.810
flat angles C4'-P-C4' energy: -2.165
flat angles P-C4'-P energy: -6.873
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: 1, replica: 9
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -143.390951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.390951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.390951 (E_RNA)
where:
Base-Base interactions energy: -99.718
where: short stacking energy: -37.307
Base-Backbone interact. energy: -1.040
local terms energy: -42.632912
where:
bonds (distance) C4'-P energy: -6.940
bonds (distance) P-C4' energy: -10.464
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -5.060
tors. eta vs tors. theta energy: -9.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -131.237057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.237057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.237057 (E_RNA)
where:
Base-Base interactions energy: -84.469
where: short stacking energy: -25.561
Base-Backbone interact. energy: -0.579
local terms energy: -46.189275
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -9.963
flat angles P-C4'-P energy: -4.579
tors. eta vs tors. theta energy: -7.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -116.331829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.331829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.331829 (E_RNA)
where:
Base-Base interactions energy: -73.667
where: short stacking energy: -31.134
Base-Backbone interact. energy: 0.594
local terms energy: -43.258609
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -9.730
flat angles P-C4'-P energy: -3.950
tors. eta vs tors. theta energy: -6.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -74.460529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.460529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.460529 (E_RNA)
where:
Base-Base interactions energy: -32.044
where: short stacking energy: -24.097
Base-Backbone interact. energy: 1.092
local terms energy: -43.507857
where:
bonds (distance) C4'-P energy: -9.607
bonds (distance) P-C4' energy: -9.079
flat angles C4'-P-C4' energy: -11.001
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -4.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -67.686414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.686414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.686414 (E_RNA)
where:
Base-Base interactions energy: -30.801
where: short stacking energy: -30.801
Base-Backbone interact. energy: -0.051
local terms energy: -36.835212
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -11.235
flat angles C4'-P-C4' energy: -5.759
flat angles P-C4'-P energy: -3.957
tors. eta vs tors. theta energy: -5.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -72.374839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.374839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.374839 (E_RNA)
where:
Base-Base interactions energy: -35.017
where: short stacking energy: -24.558
Base-Backbone interact. energy: -0.103
local terms energy: -37.255211
where:
bonds (distance) C4'-P energy: -8.555
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -8.267
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -1.466
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: 3
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -68.719150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.719150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.719150 (E_RNA)
where:
Base-Base interactions energy: -24.430
where: short stacking energy: -24.006
Base-Backbone interact. energy: -0.011
local terms energy: -44.278956
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -11.368
flat angles P-C4'-P energy: -5.960
tors. eta vs tors. theta energy: -5.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -54.608754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.608754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.608754 (E_RNA)
where:
Base-Base interactions energy: -19.347
where: short stacking energy: -3.699
Base-Backbone interact. energy: -0.120
local terms energy: -35.141177
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: -9.228
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: 2.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -59.897423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.897423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.897423 (E_RNA)
where:
Base-Base interactions energy: -23.758
where: short stacking energy: -17.174
Base-Backbone interact. energy: -0.369
local terms energy: -35.770190
where:
bonds (distance) C4'-P energy: -7.283
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -10.438
flat angles P-C4'-P energy: -3.874
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: 10, replica: 2
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -54.347317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.347317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.347317 (E_RNA)
where:
Base-Base interactions energy: -17.973
where: short stacking energy: -13.337
Base-Backbone interact. energy: -0.519
local terms energy: -35.855941
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -7.866
flat angles P-C4'-P energy: -2.727
tors. eta vs tors. theta energy: -4.111
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: 166
Temperature: 0.900000
Total energy: -135.739402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.739402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.739402 (E_RNA)
where:
Base-Base interactions energy: -91.414
where: short stacking energy: -32.871
Base-Backbone interact. energy: -0.483
local terms energy: -43.842625
where:
bonds (distance) C4'-P energy: -3.681
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -9.872
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: 2, replica: 7
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -119.533948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.533948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.533948 (E_RNA)
where:
Base-Base interactions energy: -76.931
where: short stacking energy: -29.556
Base-Backbone interact. energy: -0.556
local terms energy: -42.046892
where:
bonds (distance) C4'-P energy: -9.730
bonds (distance) P-C4' energy: -10.848
flat angles C4'-P-C4' energy: -10.103
flat angles P-C4'-P energy: -4.905
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: 3, replica: 4
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -125.290078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.290078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.290078 (E_RNA)
where:
Base-Base interactions energy: -74.939
where: short stacking energy: -32.413
Base-Backbone interact. energy: -1.931
local terms energy: -48.419741
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: -6.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -84.434757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.434757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.434757 (E_RNA)
where:
Base-Base interactions energy: -47.329
where: short stacking energy: -17.950
Base-Backbone interact. energy: -0.210
local terms energy: -36.895948
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -8.565
flat angles P-C4'-P energy: -2.982
tors. eta vs tors. theta energy: -2.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -70.156268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.156268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.156268 (E_RNA)
where:
Base-Base interactions energy: -36.689
where: short stacking energy: -24.385
Base-Backbone interact. energy: -0.088
local terms energy: -33.378743
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -8.524
flat angles C4'-P-C4' energy: -3.304
flat angles P-C4'-P energy: -5.410
tors. eta vs tors. theta energy: -4.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -90.619383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.619383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.619383 (E_RNA)
where:
Base-Base interactions energy: -52.346
where: short stacking energy: -25.968
Base-Backbone interact. energy: -0.076
local terms energy: -38.196996
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -10.605
flat angles C4'-P-C4' energy: -9.958
flat angles P-C4'-P energy: -1.665
tors. eta vs tors. theta energy: -5.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -63.062868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.062868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.062868 (E_RNA)
where:
Base-Base interactions energy: -29.139
where: short stacking energy: -29.058
Base-Backbone interact. energy: -0.012
local terms energy: -33.911613
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -6.627
flat angles C4'-P-C4' energy: -8.991
flat angles P-C4'-P energy: -4.396
tors. eta vs tors. theta energy: -3.265
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: 3
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -68.018438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.018438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.018438 (E_RNA)
where:
Base-Base interactions energy: -31.133
where: short stacking energy: -20.194
Base-Backbone interact. energy: -0.152
local terms energy: -36.732653
where:
bonds (distance) C4'-P energy: -8.105
bonds (distance) P-C4' energy: -8.971
flat angles C4'-P-C4' energy: -7.106
flat angles P-C4'-P energy: -9.435
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: 9, replica: 2
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -65.743181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.743181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.743181 (E_RNA)
where:
Base-Base interactions energy: -27.962
where: short stacking energy: -14.352
Base-Backbone interact. energy: -0.013
local terms energy: -37.768166
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -10.294
flat angles P-C4'-P energy: -5.024
tors. eta vs tors. theta energy: 0.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -62.928727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.928727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.928727 (E_RNA)
where:
Base-Base interactions energy: -31.223
where: short stacking energy: -11.494
Base-Backbone interact. energy: -0.111
local terms energy: -31.595405
where:
bonds (distance) C4'-P energy: -10.559
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -9.606
flat angles P-C4'-P energy: -4.984
tors. eta vs tors. theta energy: 5.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -122.195516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.195516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.195516 (E_RNA)
where:
Base-Base interactions energy: -74.673
where: short stacking energy: -39.384
Base-Backbone interact. energy: 0.164
local terms energy: -47.686864
where:
bonds (distance) C4'-P energy: -8.331
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -6.933
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -9.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -126.653246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.653246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.653246 (E_RNA)
where:
Base-Base interactions energy: -79.856
where: short stacking energy: -45.829
Base-Backbone interact. energy: -0.180
local terms energy: -46.616457
where:
bonds (distance) C4'-P energy: -7.482
bonds (distance) P-C4' energy: -8.469
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -10.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -122.661995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.661995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.661995 (E_RNA)
where:
Base-Base interactions energy: -78.674
where: short stacking energy: -31.954
Base-Backbone interact. energy: -0.591
local terms energy: -43.397666
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -9.664
flat angles C4'-P-C4' energy: -9.213
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -6.070
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: 8
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -84.770783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.770783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.770783 (E_RNA)
where:
Base-Base interactions energy: -37.483
where: short stacking energy: -30.228
Base-Backbone interact. energy: -0.381
local terms energy: -46.906563
where:
bonds (distance) C4'-P energy: -8.480
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -10.271
flat angles P-C4'-P energy: -7.212
tors. eta vs tors. theta energy: -8.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -70.249670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.249670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.249670 (E_RNA)
where:
Base-Base interactions energy: -29.187
where: short stacking energy: -20.555
Base-Backbone interact. energy: -0.020
local terms energy: -41.042208
where:
bonds (distance) C4'-P energy: -8.947
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -2.167
tors. eta vs tors. theta energy: -4.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -61.688557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.688557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.688557 (E_RNA)
where:
Base-Base interactions energy: -17.940
where: short stacking energy: -17.032
Base-Backbone interact. energy: -0.768
local terms energy: -42.980590
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -10.542
flat angles C4'-P-C4' energy: -9.736
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -2.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -67.830901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.830901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.830901 (E_RNA)
where:
Base-Base interactions energy: -32.303
where: short stacking energy: -25.588
Base-Backbone interact. energy: -0.207
local terms energy: -35.321276
where:
bonds (distance) C4'-P energy: -8.451
bonds (distance) P-C4' energy: -8.415
flat angles C4'-P-C4' energy: -9.566
flat angles P-C4'-P energy: -3.842
tors. eta vs tors. theta energy: -5.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -63.418521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.418521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.418521 (E_RNA)
where:
Base-Base interactions energy: -16.238
where: short stacking energy: -13.391
Base-Backbone interact. energy: -0.030
local terms energy: -47.151043
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -1.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -59.271152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.271152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.271152 (E_RNA)
where:
Base-Base interactions energy: -16.767
where: short stacking energy: -16.767
Base-Backbone interact. energy: -0.077
local terms energy: -42.426846
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -6.557
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -5.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -58.294976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.294976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.294976 (E_RNA)
where:
Base-Base interactions energy: -19.009
where: short stacking energy: -19.009
Base-Backbone interact. energy: -0.444
local terms energy: -38.841847
where:
bonds (distance) C4'-P energy: -9.439
bonds (distance) P-C4' energy: -9.032
flat angles C4'-P-C4' energy: -9.346
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -2.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -127.574209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.574209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.574209 (E_RNA)
where:
Base-Base interactions energy: -82.439
where: short stacking energy: -34.338
Base-Backbone interact. energy: -0.715
local terms energy: -44.419379
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -10.557
flat angles C4'-P-C4' energy: -11.201
flat angles P-C4'-P energy: -3.478
tors. eta vs tors. theta energy: -7.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -115.132072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.132072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.132072 (E_RNA)
where:
Base-Base interactions energy: -62.578
where: short stacking energy: -37.792
Base-Backbone interact. energy: -0.000
local terms energy: -52.553692
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -10.613
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -10.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -124.192034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.192034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.192034 (E_RNA)
where:
Base-Base interactions energy: -77.012
where: short stacking energy: -26.044
Base-Backbone interact. energy: -0.109
local terms energy: -47.071151
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -10.675
flat angles C4'-P-C4' energy: -10.468
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -72.620364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.620364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.620364 (E_RNA)
where:
Base-Base interactions energy: -29.061
where: short stacking energy: -21.947
Base-Backbone interact. energy: -0.020
local terms energy: -43.539861
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -4.728
tors. eta vs tors. theta energy: -2.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -80.836945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.836945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.836945 (E_RNA)
where:
Base-Base interactions energy: -40.536
where: short stacking energy: -27.120
Base-Backbone interact. energy: -0.083
local terms energy: -40.217837
where:
bonds (distance) C4'-P energy: -9.809
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -5.922
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -4.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -64.255745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.255745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.255745 (E_RNA)
where:
Base-Base interactions energy: -30.997
where: short stacking energy: -27.557
Base-Backbone interact. energy: -0.264
local terms energy: -32.995609
where:
bonds (distance) C4'-P energy: -5.258
bonds (distance) P-C4' energy: -8.300
flat angles C4'-P-C4' energy: -7.692
flat angles P-C4'-P energy: -8.744
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: 7, replica: 2
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -69.835592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.835592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.835592 (E_RNA)
where:
Base-Base interactions energy: -25.442
where: short stacking energy: -20.890
Base-Backbone interact. energy: -0.069
local terms energy: -44.323939
where:
bonds (distance) C4'-P energy: -9.159
bonds (distance) P-C4' energy: -10.585
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -5.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -69.388784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.388784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.388784 (E_RNA)
where:
Base-Base interactions energy: -25.018
where: short stacking energy: -25.018
Base-Backbone interact. energy: -0.048
local terms energy: -44.323440
where:
bonds (distance) C4'-P energy: -6.956
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -10.005
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -5.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -57.182146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.182146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.182146 (E_RNA)
where:
Base-Base interactions energy: -26.020
where: short stacking energy: -14.087
Base-Backbone interact. energy: -0.133
local terms energy: -31.029156
where:
bonds (distance) C4'-P energy: -6.804
bonds (distance) P-C4' energy: -10.263
flat angles C4'-P-C4' energy: -9.537
flat angles P-C4'-P energy: -2.797
tors. eta vs tors. theta energy: -1.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -56.632738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.632738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.632738 (E_RNA)
where:
Base-Base interactions energy: -22.016
where: short stacking energy: -14.967
Base-Backbone interact. energy: -0.018
local terms energy: -34.599334
where:
bonds (distance) C4'-P energy: -9.371
bonds (distance) P-C4' energy: -11.297
flat angles C4'-P-C4' energy: -5.282
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -0.200
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: 4
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -127.956039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.956039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.956039 (E_RNA)
where:
Base-Base interactions energy: -77.975
where: short stacking energy: -38.775
Base-Backbone interact. energy: -0.121
local terms energy: -49.860239
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -10.717
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -6.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -124.190648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.190648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.190648 (E_RNA)
where:
Base-Base interactions energy: -79.143
where: short stacking energy: -33.139
Base-Backbone interact. energy: -0.312
local terms energy: -44.735014
where:
bonds (distance) C4'-P energy: -7.698
bonds (distance) P-C4' energy: -8.199
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -11.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -109.749683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.749683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.749683 (E_RNA)
where:
Base-Base interactions energy: -65.233
where: short stacking energy: -31.494
Base-Backbone interact. energy: -0.007
local terms energy: -44.508947
where:
bonds (distance) C4'-P energy: -7.880
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -7.344
flat angles P-C4'-P energy: -6.498
tors. eta vs tors. theta energy: -9.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -83.331016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.331016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.331016 (E_RNA)
where:
Base-Base interactions energy: -42.674
where: short stacking energy: -18.433
Base-Backbone interact. energy: 1.019
local terms energy: -41.676347
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -9.450
flat angles C4'-P-C4' energy: -8.572
flat angles P-C4'-P energy: -5.795
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: 5, replica: 8
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -67.750311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.750311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.750311 (E_RNA)
where:
Base-Base interactions energy: -30.709
where: short stacking energy: -21.550
Base-Backbone interact. energy: -0.013
local terms energy: -37.028061
where:
bonds (distance) C4'-P energy: -8.410
bonds (distance) P-C4' energy: -8.846
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: -3.714
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: 6
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -65.852684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.852684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.852684 (E_RNA)
where:
Base-Base interactions energy: -20.958
where: short stacking energy: -20.958
Base-Backbone interact. energy: -0.036
local terms energy: -44.859008
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -8.618
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -5.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -59.635677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.635677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.635677 (E_RNA)
where:
Base-Base interactions energy: -18.844
where: short stacking energy: -18.844
Base-Backbone interact. energy: -0.040
local terms energy: -40.752539
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -10.878
flat angles C4'-P-C4' energy: -8.324
flat angles P-C4'-P energy: -5.225
tors. eta vs tors. theta energy: -3.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -64.163070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.163070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.163070 (E_RNA)
where:
Base-Base interactions energy: -21.984
where: short stacking energy: -16.528
Base-Backbone interact. energy: -0.010
local terms energy: -42.169471
where:
bonds (distance) C4'-P energy: -10.033
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -7.927
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -4.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -60.165645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.165645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.165645 (E_RNA)
where:
Base-Base interactions energy: -25.326
where: short stacking energy: -10.283
Base-Backbone interact. energy: 0.017
local terms energy: -34.856281
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -9.290
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: 4.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -59.472761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.472761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.472761 (E_RNA)
where:
Base-Base interactions energy: -19.849
where: short stacking energy: -18.739
Base-Backbone interact. energy: -0.005
local terms energy: -39.618854
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -10.370
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -6.141
tors. eta vs tors. theta energy: -1.015
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: 7
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -136.863232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.863232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.863232 (E_RNA)
where:
Base-Base interactions energy: -83.120
where: short stacking energy: -33.328
Base-Backbone interact. energy: -1.372
local terms energy: -52.371038
where:
bonds (distance) C4'-P energy: -9.597
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -9.109
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -11.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -110.820296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.820296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.820296 (E_RNA)
where:
Base-Base interactions energy: -68.501
where: short stacking energy: -32.538
Base-Backbone interact. energy: -0.187
local terms energy: -42.131795
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -9.936
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -5.003
tors. eta vs tors. theta energy: -4.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -123.454644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.454644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.454644 (E_RNA)
where:
Base-Base interactions energy: -78.943
where: short stacking energy: -34.526
Base-Backbone interact. energy: -0.782
local terms energy: -43.729913
where:
bonds (distance) C4'-P energy: -5.976
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: -6.154
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: 4, replica: 1
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -76.037249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.037249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.037249 (E_RNA)
where:
Base-Base interactions energy: -34.578
where: short stacking energy: -20.074
Base-Backbone interact. energy: -0.167
local terms energy: -41.293025
where:
bonds (distance) C4'-P energy: -10.677
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -9.932
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -0.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -78.772822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.772822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.772822 (E_RNA)
where:
Base-Base interactions energy: -36.398
where: short stacking energy: -30.040
Base-Backbone interact. energy: -0.100
local terms energy: -42.273952
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -8.630
flat angles C4'-P-C4' energy: -8.472
flat angles P-C4'-P energy: -6.084
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: 6, replica: 8
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -62.887657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.887657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.887657 (E_RNA)
where:
Base-Base interactions energy: -27.114
where: short stacking energy: -11.871
Base-Backbone interact. energy: -0.856
local terms energy: -34.917291
where:
bonds (distance) C4'-P energy: -9.250
bonds (distance) P-C4' energy: -9.437
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -4.842
tors. eta vs tors. theta energy: -0.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -55.617020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.617020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.617020 (E_RNA)
where:
Base-Base interactions energy: -26.990
where: short stacking energy: -18.697
Base-Backbone interact. energy: -0.203
local terms energy: -28.424090
where:
bonds (distance) C4'-P energy: -3.899
bonds (distance) P-C4' energy: -8.035
flat angles C4'-P-C4' energy: -9.976
flat angles P-C4'-P energy: -2.979
tors. eta vs tors. theta energy: -3.534
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: 2
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -64.288477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.288477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.288477 (E_RNA)
where:
Base-Base interactions energy: -23.410
where: short stacking energy: -19.188
Base-Backbone interact. energy: -0.182
local terms energy: -40.695996
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -8.308
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -5.001
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: 9, replica: 5
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -66.558829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.558829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.558829 (E_RNA)
where:
Base-Base interactions energy: -22.728
where: short stacking energy: -20.206
Base-Backbone interact. energy: -0.067
local terms energy: -43.763547
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -10.563
flat angles C4'-P-C4' energy: -10.633
flat angles P-C4'-P energy: -6.561
tors. eta vs tors. theta energy: -6.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -53.510438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.510438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.510438 (E_RNA)
where:
Base-Base interactions energy: -16.661
where: short stacking energy: -14.707
Base-Backbone interact. energy: -0.234
local terms energy: -36.615693
where:
bonds (distance) C4'-P energy: -7.143
bonds (distance) P-C4' energy: -10.348
flat angles C4'-P-C4' energy: -8.716
flat angles P-C4'-P energy: -4.528
tors. eta vs tors. theta energy: -5.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -143.316950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.316950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.316950 (E_RNA)
where:
Base-Base interactions energy: -94.496
where: short stacking energy: -38.172
Base-Backbone interact. energy: 0.789
local terms energy: -49.610174
where:
bonds (distance) C4'-P energy: -7.678
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -11.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -138.910047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.910047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.910047 (E_RNA)
where:
Base-Base interactions energy: -92.097
where: short stacking energy: -29.727
Base-Backbone interact. energy: -0.398
local terms energy: -46.414068
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -5.978
tors. eta vs tors. theta energy: -6.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -95.885271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.885271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.885271 (E_RNA)
where:
Base-Base interactions energy: -55.066
where: short stacking energy: -17.650
Base-Backbone interact. energy: -0.280
local terms energy: -40.539124
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -10.004
flat angles P-C4'-P energy: -1.864
tors. eta vs tors. theta energy: -4.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -90.028105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.028105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.028105 (E_RNA)
where:
Base-Base interactions energy: -52.156
where: short stacking energy: -28.443
Base-Backbone interact. energy: -0.098
local terms energy: -37.774223
where:
bonds (distance) C4'-P energy: -8.111
bonds (distance) P-C4' energy: -9.319
flat angles C4'-P-C4' energy: -9.570
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -2.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -71.996916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.996916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.996916 (E_RNA)
where:
Base-Base interactions energy: -27.772
where: short stacking energy: -24.825
Base-Backbone interact. energy: -0.019
local terms energy: -44.206055
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -10.164
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -3.756
tors. eta vs tors. theta energy: -6.660
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: 3
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -80.076726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.076726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.076726 (E_RNA)
where:
Base-Base interactions energy: -37.584
where: short stacking energy: -17.262
Base-Backbone interact. energy: -0.224
local terms energy: -42.268382
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -3.387
tors. eta vs tors. theta energy: -1.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -71.780144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.780144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.780144 (E_RNA)
where:
Base-Base interactions energy: -36.634
where: short stacking energy: -28.935
Base-Backbone interact. energy: 0.209
local terms energy: -35.355814
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -7.263
flat angles P-C4'-P energy: -2.484
tors. eta vs tors. theta energy: -6.857
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: 8, replica: 5
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -67.648272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.648272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.648272 (E_RNA)
where:
Base-Base interactions energy: -28.681
where: short stacking energy: -16.124
Base-Backbone interact. energy: -0.170
local terms energy: -38.797273
where:
bonds (distance) C4'-P energy: -8.244
bonds (distance) P-C4' energy: -10.487
flat angles C4'-P-C4' energy: -9.958
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: -3.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -61.729665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.729665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.729665 (E_RNA)
where:
Base-Base interactions energy: -26.733
where: short stacking energy: -17.024
Base-Backbone interact. energy: -0.130
local terms energy: -34.866801
where:
bonds (distance) C4'-P energy: -10.976
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -5.231
flat angles P-C4'-P energy: -6.013
tors. eta vs tors. theta energy: -1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -56.220498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.220498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.220498 (E_RNA)
where:
Base-Base interactions energy: -19.001
where: short stacking energy: -19.001
Base-Backbone interact. energy: -0.133
local terms energy: -37.086651
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -7.333
flat angles P-C4'-P energy: -5.194
tors. eta vs tors. theta energy: -0.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -139.549973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.549973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.549973 (E_RNA)
where:
Base-Base interactions energy: -88.661
where: short stacking energy: -36.476
Base-Backbone interact. energy: -1.041
local terms energy: -49.848515
where:
bonds (distance) C4'-P energy: -9.201
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -10.197
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: 2, replica: 7
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -122.642558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.642558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.642558 (E_RNA)
where:
Base-Base interactions energy: -73.655
where: short stacking energy: -31.018
Base-Backbone interact. energy: -1.006
local terms energy: -47.980967
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -10.373
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: -6.363
tors. eta vs tors. theta energy: -7.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -120.023415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.023415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.023415 (E_RNA)
where:
Base-Base interactions energy: -77.940
where: short stacking energy: -26.515
Base-Backbone interact. energy: -0.181
local terms energy: -41.902587
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -6.961
flat angles P-C4'-P energy: -3.718
tors. eta vs tors. theta energy: -6.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -65.681219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.681219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.681219 (E_RNA)
where:
Base-Base interactions energy: -20.477
where: short stacking energy: -20.477
Base-Backbone interact. energy: -0.082
local terms energy: -45.122471
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -4.491
tors. eta vs tors. theta energy: -6.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -79.114919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.114919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.114919 (E_RNA)
where:
Base-Base interactions energy: -39.002
where: short stacking energy: -25.866
Base-Backbone interact. energy: -0.093
local terms energy: -40.020382
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -4.998
tors. eta vs tors. theta energy: -1.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -62.203340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.203340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.203340 (E_RNA)
where:
Base-Base interactions energy: -19.425
where: short stacking energy: -17.190
Base-Backbone interact. energy: -0.026
local terms energy: -42.752464
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -9.868
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -5.899
tors. eta vs tors. theta energy: -3.578
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: 5
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -62.100946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.100946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.100946 (E_RNA)
where:
Base-Base interactions energy: -29.838
where: short stacking energy: -12.457
Base-Backbone interact. energy: -0.149
local terms energy: -32.113527
where:
bonds (distance) C4'-P energy: -8.346
bonds (distance) P-C4' energy: -9.802
flat angles C4'-P-C4' energy: -8.484
flat angles P-C4'-P energy: -6.313
tors. eta vs tors. theta energy: 0.831
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: 172
Temperature: 1.250000
Total energy: -67.016276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.016276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.016276 (E_RNA)
where:
Base-Base interactions energy: -21.001
where: short stacking energy: -19.440
Base-Backbone interact. energy: -0.378
local terms energy: -45.637089
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -10.195
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -59.475941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.475941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.475941 (E_RNA)
where:
Base-Base interactions energy: -18.681
where: short stacking energy: -18.016
Base-Backbone interact. energy: -0.003
local terms energy: -40.791464
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -7.085
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -54.603134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.603134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.603134 (E_RNA)
where:
Base-Base interactions energy: -24.864
where: short stacking energy: -22.296
Base-Backbone interact. energy: -0.020
local terms energy: -29.719152
where:
bonds (distance) C4'-P energy: -6.895
bonds (distance) P-C4' energy: -8.661
flat angles C4'-P-C4' energy: -9.425
flat angles P-C4'-P energy: -2.191
tors. eta vs tors. theta energy: -2.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -129.076602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.076602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.076602 (E_RNA)
where:
Base-Base interactions energy: -91.318
where: short stacking energy: -35.618
Base-Backbone interact. energy: -1.010
local terms energy: -36.747770
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -8.146
flat angles C4'-P-C4' energy: -9.698
flat angles P-C4'-P energy: -3.487
tors. eta vs tors. theta energy: -4.040
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: 7
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -119.274444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.274444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.274444 (E_RNA)
where:
Base-Base interactions energy: -72.807
where: short stacking energy: -31.440
Base-Backbone interact. energy: -0.379
local terms energy: -46.088490
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -9.420
flat angles P-C4'-P energy: -5.686
tors. eta vs tors. theta energy: -7.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -119.765679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.765679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.765679 (E_RNA)
where:
Base-Base interactions energy: -76.006
where: short stacking energy: -26.970
Base-Backbone interact. energy: -0.076
local terms energy: -43.684542
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -9.789
flat angles C4'-P-C4' energy: -7.279
flat angles P-C4'-P energy: -7.830
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: 4, replica: 1
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -73.159079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.159079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.159079 (E_RNA)
where:
Base-Base interactions energy: -31.292
where: short stacking energy: -26.244
Base-Backbone interact. energy: -0.199
local terms energy: -41.668347
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -7.903
flat angles P-C4'-P energy: -4.802
tors. eta vs tors. theta energy: -6.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -74.228403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.228403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.228403 (E_RNA)
where:
Base-Base interactions energy: -34.971
where: short stacking energy: -21.179
Base-Backbone interact. energy: 1.011
local terms energy: -40.268629
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -8.447
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: -0.505
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: 6, replica: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -78.187502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.187502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.187502 (E_RNA)
where:
Base-Base interactions energy: -41.488
where: short stacking energy: -20.807
Base-Backbone interact. energy: 0.757
local terms energy: -37.456453
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -9.423
flat angles C4'-P-C4' energy: -6.315
flat angles P-C4'-P energy: -5.496
tors. eta vs tors. theta energy: -3.396
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: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -65.586980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.586980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.586980 (E_RNA)
where:
Base-Base interactions energy: -27.701
where: short stacking energy: -9.116
Base-Backbone interact. energy: -0.199
local terms energy: -37.687606
where:
bonds (distance) C4'-P energy: -9.461
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -7.758
flat angles P-C4'-P energy: -5.285
tors. eta vs tors. theta energy: -3.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -59.308111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.308111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.308111 (E_RNA)
where:
Base-Base interactions energy: -27.353
where: short stacking energy: -13.651
Base-Backbone interact. energy: -0.358
local terms energy: -31.597772
where:
bonds (distance) C4'-P energy: -7.975
bonds (distance) P-C4' energy: -11.400
flat angles C4'-P-C4' energy: -7.953
flat angles P-C4'-P energy: -4.521
tors. eta vs tors. theta energy: 0.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -59.274570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.274570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.274570 (E_RNA)
where:
Base-Base interactions energy: -21.095
where: short stacking energy: -10.314
Base-Backbone interact. energy: 0.023
local terms energy: -38.202295
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -6.926
flat angles P-C4'-P energy: -8.066
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: 10, replica: 2
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -58.097175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.097175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.097175 (E_RNA)
where:
Base-Base interactions energy: -26.028
where: short stacking energy: -7.482
Base-Backbone interact. energy: -0.471
local terms energy: -31.598425
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -10.659
flat angles C4'-P-C4' energy: -8.418
flat angles P-C4'-P energy: -5.165
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: 1, replica: 9
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -134.139145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.139145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.139145 (E_RNA)
where:
Base-Base interactions energy: -90.112
where: short stacking energy: -31.244
Base-Backbone interact. energy: -0.520
local terms energy: -43.507986
where:
bonds (distance) C4'-P energy: -9.941
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -9.889
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: -4.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -124.445847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.445847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.445847 (E_RNA)
where:
Base-Base interactions energy: -78.104
where: short stacking energy: -43.465
Base-Backbone interact. energy: 3.010
local terms energy: -49.351839
where:
bonds (distance) C4'-P energy: -10.044
bonds (distance) P-C4' energy: -10.542
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -6.299
tors. eta vs tors. theta energy: -10.095
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: 4
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -109.696518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.696518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.696518 (E_RNA)
where:
Base-Base interactions energy: -63.973
where: short stacking energy: -35.235
Base-Backbone interact. energy: 0.288
local terms energy: -46.012168
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -8.594
flat angles C4'-P-C4' energy: -9.035
flat angles P-C4'-P energy: -6.282
tors. eta vs tors. theta energy: -9.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -83.554894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.554894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.554894 (E_RNA)
where:
Base-Base interactions energy: -35.947
where: short stacking energy: -35.947
Base-Backbone interact. energy: -0.001
local terms energy: -47.607678
where:
bonds (distance) C4'-P energy: -8.430
bonds (distance) P-C4' energy: -9.968
flat angles C4'-P-C4' energy: -11.599
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -11.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -74.009417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.009417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.009417 (E_RNA)
where:
Base-Base interactions energy: -30.492
where: short stacking energy: -20.220
Base-Backbone interact. energy: 0.838
local terms energy: -44.355938
where:
bonds (distance) C4'-P energy: -9.449
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -10.257
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: -4.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -59.142720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.142720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.142720 (E_RNA)
where:
Base-Base interactions energy: -19.727
where: short stacking energy: -19.727
Base-Backbone interact. energy: -0.154
local terms energy: -39.261115
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -7.529
flat angles P-C4'-P energy: -6.135
tors. eta vs tors. theta energy: -2.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -70.445032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.445032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.445032 (E_RNA)
where:
Base-Base interactions energy: -26.157
where: short stacking energy: -26.157
Base-Backbone interact. energy: -0.004
local terms energy: -44.284389
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -10.472
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -4.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -63.037064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.037064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.037064 (E_RNA)
where:
Base-Base interactions energy: -23.074
where: short stacking energy: -21.135
Base-Backbone interact. energy: 6.588
local terms energy: -46.551734
where:
bonds (distance) C4'-P energy: -8.749
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -8.759
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: 9, replica: 10
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -64.760416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.760416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.760416 (E_RNA)
where:
Base-Base interactions energy: -27.159
where: short stacking energy: -22.911
Base-Backbone interact. energy: -0.058
local terms energy: -37.543966
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -7.315
flat angles P-C4'-P energy: -6.211
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: 10, replica: 2
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -50.405313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.405313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.405313 (E_RNA)
where:
Base-Base interactions energy: -20.777
where: short stacking energy: -15.228
Base-Backbone interact. energy: -0.218
local terms energy: -29.410690
where:
bonds (distance) C4'-P energy: -7.072
bonds (distance) P-C4' energy: -11.627
flat angles C4'-P-C4' energy: -8.163
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: 5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -139.044532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.044532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.044532 (E_RNA)
where:
Base-Base interactions energy: -98.241
where: short stacking energy: -41.303
Base-Backbone interact. energy: -0.347
local terms energy: -40.456850
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -9.684
flat angles C4'-P-C4' energy: -9.032
flat angles P-C4'-P energy: -5.212
tors. eta vs tors. theta energy: -4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -110.457840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.457840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.457840 (E_RNA)
where:
Base-Base interactions energy: -66.207
where: short stacking energy: -36.408
Base-Backbone interact. energy: -0.029
local terms energy: -44.221367
where:
bonds (distance) C4'-P energy: -8.434
bonds (distance) P-C4' energy: -10.224
flat angles C4'-P-C4' energy: -10.076
flat angles P-C4'-P energy: -6.528
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: 3, replica: 7
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -109.524267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.524267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.524267 (E_RNA)
where:
Base-Base interactions energy: -71.069
where: short stacking energy: -29.703
Base-Backbone interact. energy: -0.362
local terms energy: -38.093428
where:
bonds (distance) C4'-P energy: -9.407
bonds (distance) P-C4' energy: -11.321
flat angles C4'-P-C4' energy: -7.690
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: -3.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -86.478740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.478740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.478740 (E_RNA)
where:
Base-Base interactions energy: -45.212
where: short stacking energy: -29.920
Base-Backbone interact. energy: -0.781
local terms energy: -40.484774
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -8.459
flat angles C4'-P-C4' energy: -5.519
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -7.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -64.377772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.377772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.377772 (E_RNA)
where:
Base-Base interactions energy: -29.360
where: short stacking energy: -18.043
Base-Backbone interact. energy: -0.024
local terms energy: -34.994165
where:
bonds (distance) C4'-P energy: -10.019
bonds (distance) P-C4' energy: -10.850
flat angles C4'-P-C4' energy: -9.238
flat angles P-C4'-P energy: -5.148
tors. eta vs tors. theta energy: 0.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -67.717837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.717837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.717837 (E_RNA)
where:
Base-Base interactions energy: -24.780
where: short stacking energy: -24.780
Base-Backbone interact. energy: 0.044
local terms energy: -42.981730
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -10.180
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -6.320
tors. eta vs tors. theta energy: -3.265
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: 8
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -67.079292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.079292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.079292 (E_RNA)
where:
Base-Base interactions energy: -27.602
where: short stacking energy: -13.626
Base-Backbone interact. energy: -0.064
local terms energy: -39.413575
where:
bonds (distance) C4'-P energy: -10.189
bonds (distance) P-C4' energy: -11.112
flat angles C4'-P-C4' energy: -7.335
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -2.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -65.533959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.533959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.533959 (E_RNA)
where:
Base-Base interactions energy: -23.559
where: short stacking energy: -23.559
Base-Backbone interact. energy: -0.085
local terms energy: -41.889080
where:
bonds (distance) C4'-P energy: -8.833
bonds (distance) P-C4' energy: -6.601
flat angles C4'-P-C4' energy: -9.109
flat angles P-C4'-P energy: -9.300
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: 9, replica: 3
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -77.933254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.933254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.933254 (E_RNA)
where:
Base-Base interactions energy: -39.167
where: short stacking energy: -21.139
Base-Backbone interact. energy: 0.232
local terms energy: -38.997843
where:
bonds (distance) C4'-P energy: -10.400
bonds (distance) P-C4' energy: -9.392
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: 0.830
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: 10, replica: 2
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -55.703121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.703121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.703121 (E_RNA)
where:
Base-Base interactions energy: -22.570
where: short stacking energy: -22.570
Base-Backbone interact. energy: 0.037
local terms energy: -33.170080
where:
bonds (distance) C4'-P energy: -7.727
bonds (distance) P-C4' energy: -8.839
flat angles C4'-P-C4' energy: -6.015
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: -3.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -115.838391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.838391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.838391 (E_RNA)
where:
Base-Base interactions energy: -70.075
where: short stacking energy: -26.418
Base-Backbone interact. energy: -0.194
local terms energy: -45.569256
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -10.935
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -4.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -133.247228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.247228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.247228 (E_RNA)
where:
Base-Base interactions energy: -87.829
where: short stacking energy: -35.532
Base-Backbone interact. energy: -1.197
local terms energy: -44.221479
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -8.917
flat angles C4'-P-C4' energy: -6.688
flat angles P-C4'-P energy: -10.153
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: 3, replica: 7
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -116.166605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.166605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.166605 (E_RNA)
where:
Base-Base interactions energy: -70.620
where: short stacking energy: -25.765
Base-Backbone interact. energy: 0.211
local terms energy: -45.757165
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -9.835
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: -6.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -66.997334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.997334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.997334 (E_RNA)
where:
Base-Base interactions energy: -27.853
where: short stacking energy: -24.757
Base-Backbone interact. energy: -0.014
local terms energy: -39.130036
where:
bonds (distance) C4'-P energy: -9.346
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -5.725
tors. eta vs tors. theta energy: -3.228
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: 6
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -75.038175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.038175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.038175 (E_RNA)
where:
Base-Base interactions energy: -34.386
where: short stacking energy: -34.386
Base-Backbone interact. energy: -0.075
local terms energy: -40.577288
where:
bonds (distance) C4'-P energy: -10.400
bonds (distance) P-C4' energy: -7.064
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -3.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -69.337098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.337098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.337098 (E_RNA)
where:
Base-Base interactions energy: -28.676
where: short stacking energy: -17.326
Base-Backbone interact. energy: -0.105
local terms energy: -40.556383
where:
bonds (distance) C4'-P energy: -10.084
bonds (distance) P-C4' energy: -7.307
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -4.683
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: 7, replica: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -60.589315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.589315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.589315 (E_RNA)
where:
Base-Base interactions energy: -23.445
where: short stacking energy: -14.326
Base-Backbone interact. energy: -0.192
local terms energy: -36.952931
where:
bonds (distance) C4'-P energy: -6.508
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: 1.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -66.376897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.376897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.376897 (E_RNA)
where:
Base-Base interactions energy: -24.961
where: short stacking energy: -22.645
Base-Backbone interact. energy: -0.092
local terms energy: -41.324296
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -3.587
tors. eta vs tors. theta energy: -1.918
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: 176
Temperature: 1.300000
Total energy: -62.850227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.850227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.850227 (E_RNA)
where:
Base-Base interactions energy: -28.798
where: short stacking energy: -12.921
Base-Backbone interact. energy: -0.888
local terms energy: -33.164265
where:
bonds (distance) C4'-P energy: -9.771
bonds (distance) P-C4' energy: -9.738
flat angles C4'-P-C4' energy: -9.583
flat angles P-C4'-P energy: -2.995
tors. eta vs tors. theta energy: -1.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -56.746611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.746611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.746611 (E_RNA)
where:
Base-Base interactions energy: -17.462
where: short stacking energy: -14.767
Base-Backbone interact. energy: -0.537
local terms energy: -38.747539
where:
bonds (distance) C4'-P energy: -8.448
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -7.103
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: -5.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -133.754898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.754898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.754898 (E_RNA)
where:
Base-Base interactions energy: -86.120
where: short stacking energy: -31.140
Base-Backbone interact. energy: -1.069
local terms energy: -46.565971
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -9.668
flat angles C4'-P-C4' energy: -9.925
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -7.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -92.054656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.054656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.054656 (E_RNA)
where:
Base-Base interactions energy: -47.133
where: short stacking energy: -27.379
Base-Backbone interact. energy: -0.001
local terms energy: -44.920196
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -10.658
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: -3.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -118.159904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.159904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.159904 (E_RNA)
where:
Base-Base interactions energy: -72.202
where: short stacking energy: -27.509
Base-Backbone interact. energy: -0.273
local terms energy: -45.685193
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -10.085
flat angles C4'-P-C4' energy: -11.171
flat angles P-C4'-P energy: -6.630
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: 4, replica: 6
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -71.198251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.198251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.198251 (E_RNA)
where:
Base-Base interactions energy: -26.708
where: short stacking energy: -26.708
Base-Backbone interact. energy: -0.061
local terms energy: -44.429266
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -12.811
flat angles C4'-P-C4' energy: -6.581
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -5.188
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: 5
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -77.333521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.333521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.333521 (E_RNA)
where:
Base-Base interactions energy: -40.470
where: short stacking energy: -26.117
Base-Backbone interact. energy: -1.106
local terms energy: -35.757428
where:
bonds (distance) C4'-P energy: -8.968
bonds (distance) P-C4' energy: -8.736
flat angles C4'-P-C4' energy: -10.240
flat angles P-C4'-P energy: -3.117
tors. eta vs tors. theta energy: -4.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -66.415498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.415498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.415498 (E_RNA)
where:
Base-Base interactions energy: -29.974
where: short stacking energy: -23.319
Base-Backbone interact. energy: -0.396
local terms energy: -36.044921
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -8.531
flat angles C4'-P-C4' energy: -10.797
flat angles P-C4'-P energy: -5.617
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: 7, replica: 1
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -67.635445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.635445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.635445 (E_RNA)
where:
Base-Base interactions energy: -36.820
where: short stacking energy: -17.011
Base-Backbone interact. energy: -0.186
local terms energy: -30.629809
where:
bonds (distance) C4'-P energy: -2.142
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -5.947
tors. eta vs tors. theta energy: -1.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -73.963299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.963299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.963299 (E_RNA)
where:
Base-Base interactions energy: -32.128
where: short stacking energy: -31.536
Base-Backbone interact. energy: -0.096
local terms energy: -41.739716
where:
bonds (distance) C4'-P energy: -8.120
bonds (distance) P-C4' energy: -9.204
flat angles C4'-P-C4' energy: -9.486
flat angles P-C4'-P energy: -7.848
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: 9, replica: 2
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -61.511455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.511455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.511455 (E_RNA)
where:
Base-Base interactions energy: -23.595
where: short stacking energy: -21.398
Base-Backbone interact. energy: 0.076
local terms energy: -37.992168
where:
bonds (distance) C4'-P energy: -11.509
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -6.971
flat angles P-C4'-P energy: -4.545
tors. eta vs tors. theta energy: -3.214
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: 177
Temperature: 1.350000
Total energy: -54.282660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.282660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.282660 (E_RNA)
where:
Base-Base interactions energy: -16.454
where: short stacking energy: -13.540
Base-Backbone interact. energy: -0.170
local terms energy: -37.658593
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -8.634
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -0.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -134.418891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.418891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.418891 (E_RNA)
where:
Base-Base interactions energy: -80.333
where: short stacking energy: -30.580
Base-Backbone interact. energy: 0.115
local terms energy: -54.200246
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -7.619
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: 2, replica: 7
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -87.906344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.906344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.906344 (E_RNA)
where:
Base-Base interactions energy: -48.079
where: short stacking energy: -30.252
Base-Backbone interact. energy: -0.315
local terms energy: -39.512387
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -7.321
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -2.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -105.942578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.942578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.942578 (E_RNA)
where:
Base-Base interactions energy: -59.627
where: short stacking energy: -30.327
Base-Backbone interact. energy: -0.074
local terms energy: -46.241849
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -6.915
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -9.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -78.847207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.847207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.847207 (E_RNA)
where:
Base-Base interactions energy: -36.236
where: short stacking energy: -15.321
Base-Backbone interact. energy: -0.041
local terms energy: -42.570662
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -9.904
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -8.555
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: 5, replica: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -74.932064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.932064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.932064 (E_RNA)
where:
Base-Base interactions energy: -28.991
where: short stacking energy: -25.655
Base-Backbone interact. energy: -0.064
local terms energy: -45.877438
where:
bonds (distance) C4'-P energy: -8.413
bonds (distance) P-C4' energy: -11.828
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -5.483
tors. eta vs tors. theta energy: -8.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -79.641353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.641353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.641353 (E_RNA)
where:
Base-Base interactions energy: -35.765
where: short stacking energy: -21.329
Base-Backbone interact. energy: -0.244
local terms energy: -43.632557
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -9.450
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -2.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -63.074553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.074553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.074553 (E_RNA)
where:
Base-Base interactions energy: -20.493
where: short stacking energy: -12.943
Base-Backbone interact. energy: 1.131
local terms energy: -43.712630
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -10.378
flat angles P-C4'-P energy: -7.356
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: 8, replica: 1
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -63.314644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.314644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.314644 (E_RNA)
where:
Base-Base interactions energy: -30.442
where: short stacking energy: -16.326
Base-Backbone interact. energy: -0.833
local terms energy: -32.039482
where:
bonds (distance) C4'-P energy: -10.165
bonds (distance) P-C4' energy: -10.721
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: 1.867
tors. eta vs tors. theta energy: -1.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -60.650175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.650175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.650175 (E_RNA)
where:
Base-Base interactions energy: -23.276
where: short stacking energy: -8.322
Base-Backbone interact. energy: -0.012
local terms energy: -37.362055
where:
bonds (distance) C4'-P energy: -6.965
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -8.109
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: 2
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -54.176575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.176575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.176575 (E_RNA)
where:
Base-Base interactions energy: -11.963
where: short stacking energy: -11.892
Base-Backbone interact. energy: -0.415
local terms energy: -41.799161
where:
bonds (distance) C4'-P energy: -6.691
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -10.308
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -2.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -134.188984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.188984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.188984 (E_RNA)
where:
Base-Base interactions energy: -87.747
where: short stacking energy: -29.724
Base-Backbone interact. energy: 0.441
local terms energy: -46.883148
where:
bonds (distance) C4'-P energy: -10.032
bonds (distance) P-C4' energy: -11.529
flat angles C4'-P-C4' energy: -9.045
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -8.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -110.191408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.191408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.191408 (E_RNA)
where:
Base-Base interactions energy: -63.420
where: short stacking energy: -42.723
Base-Backbone interact. energy: -0.680
local terms energy: -46.091708
where:
bonds (distance) C4'-P energy: -6.438
bonds (distance) P-C4' energy: -10.644
flat angles C4'-P-C4' energy: -11.217
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -9.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -91.197569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.197569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.197569 (E_RNA)
where:
Base-Base interactions energy: -42.127
where: short stacking energy: -32.867
Base-Backbone interact. energy: -0.000
local terms energy: -49.070400
where:
bonds (distance) C4'-P energy: -8.584
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -4.915
tors. eta vs tors. theta energy: -11.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -107.500776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.500776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.500776 (E_RNA)
where:
Base-Base interactions energy: -60.969
where: short stacking energy: -28.783
Base-Backbone interact. energy: 0.468
local terms energy: -46.999678
where:
bonds (distance) C4'-P energy: -7.747
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -5.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -68.321864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.321864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.321864 (E_RNA)
where:
Base-Base interactions energy: -29.953
where: short stacking energy: -19.832
Base-Backbone interact. energy: -0.133
local terms energy: -38.235264
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -8.360
flat angles P-C4'-P energy: -4.520
tors. eta vs tors. theta energy: -2.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -65.060261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.060261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.060261 (E_RNA)
where:
Base-Base interactions energy: -23.123
where: short stacking energy: -19.170
Base-Backbone interact. energy: -0.081
local terms energy: -41.856812
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -10.225
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -1.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -67.330958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.330958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.330958 (E_RNA)
where:
Base-Base interactions energy: -22.677
where: short stacking energy: -22.677
Base-Backbone interact. energy: -0.076
local terms energy: -44.578378
where:
bonds (distance) C4'-P energy: -9.673
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -8.185
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -6.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -63.567277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.567277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.567277 (E_RNA)
where:
Base-Base interactions energy: -19.140
where: short stacking energy: -15.264
Base-Backbone interact. energy: -0.003
local terms energy: -44.424308
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -11.471
flat angles C4'-P-C4' energy: -8.593
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -5.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -56.320970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.320970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.320970 (E_RNA)
where:
Base-Base interactions energy: -23.556
where: short stacking energy: -19.394
Base-Backbone interact. energy: 1.337
local terms energy: -34.101616
where:
bonds (distance) C4'-P energy: -9.072
bonds (distance) P-C4' energy: -4.244
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -3.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -68.564269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.564269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.564269 (E_RNA)
where:
Base-Base interactions energy: -29.014
where: short stacking energy: -29.014
Base-Backbone interact. energy: -0.084
local terms energy: -39.466155
where:
bonds (distance) C4'-P energy: -8.838
bonds (distance) P-C4' energy: -11.096
flat angles C4'-P-C4' energy: -9.345
flat angles P-C4'-P energy: -2.412
tors. eta vs tors. theta energy: -7.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -133.198119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.198119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.198119 (E_RNA)
where:
Base-Base interactions energy: -85.324
where: short stacking energy: -37.914
Base-Backbone interact. energy: -0.840
local terms energy: -47.033414
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -2.745
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: 2, replica: 9
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -109.893528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.893528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.893528 (E_RNA)
where:
Base-Base interactions energy: -55.288
where: short stacking energy: -37.832
Base-Backbone interact. energy: -0.001
local terms energy: -54.603842
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -10.857
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: 3, replica: 6
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -90.456256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.456256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.456256 (E_RNA)
where:
Base-Base interactions energy: -47.623
where: short stacking energy: -31.904
Base-Backbone interact. energy: -0.019
local terms energy: -42.814166
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -7.935
flat angles P-C4'-P energy: -3.339
tors. eta vs tors. theta energy: -8.938
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: 7
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -91.674030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.674030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.674030 (E_RNA)
where:
Base-Base interactions energy: -45.420
where: short stacking energy: -33.887
Base-Backbone interact. energy: -0.038
local terms energy: -46.215858
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -10.259
flat angles P-C4'-P energy: -6.063
tors. eta vs tors. theta energy: -5.696
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: 8
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -65.828262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.828262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.828262 (E_RNA)
where:
Base-Base interactions energy: -29.781
where: short stacking energy: -20.334
Base-Backbone interact. energy: -0.033
local terms energy: -36.014725
where:
bonds (distance) C4'-P energy: -8.340
bonds (distance) P-C4' energy: -5.499
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -3.655
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: 5
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -80.449179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.449179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.449179 (E_RNA)
where:
Base-Base interactions energy: -45.133
where: short stacking energy: -26.045
Base-Backbone interact. energy: -0.043
local terms energy: -35.273867
where:
bonds (distance) C4'-P energy: -2.646
bonds (distance) P-C4' energy: -8.988
flat angles C4'-P-C4' energy: -9.817
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -7.113
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: 10
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -65.765028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.765028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.765028 (E_RNA)
where:
Base-Base interactions energy: -29.194
where: short stacking energy: -20.503
Base-Backbone interact. energy: -0.126
local terms energy: -36.445282
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -11.162
flat angles C4'-P-C4' energy: -7.183
flat angles P-C4'-P energy: -3.302
tors. eta vs tors. theta energy: -4.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -71.986862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.986862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.986862 (E_RNA)
where:
Base-Base interactions energy: -34.648
where: short stacking energy: -23.087
Base-Backbone interact. energy: -0.493
local terms energy: -36.846109
where:
bonds (distance) C4'-P energy: -9.396
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -4.296
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -3.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -60.874847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.874847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.874847 (E_RNA)
where:
Base-Base interactions energy: -27.273
where: short stacking energy: -10.743
Base-Backbone interact. energy: -0.210
local terms energy: -33.392199
where:
bonds (distance) C4'-P energy: -8.198
bonds (distance) P-C4' energy: -10.020
flat angles C4'-P-C4' energy: -7.651
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: 0.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -60.382681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.382681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.382681 (E_RNA)
where:
Base-Base interactions energy: -22.949
where: short stacking energy: -14.625
Base-Backbone interact. energy: -0.113
local terms energy: -37.320669
where:
bonds (distance) C4'-P energy: -7.934
bonds (distance) P-C4' energy: -11.035
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: 0.736
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: 4
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -128.985327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.985327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.985327 (E_RNA)
where:
Base-Base interactions energy: -88.505
where: short stacking energy: -32.139
Base-Backbone interact. energy: -0.355
local terms energy: -40.124737
where:
bonds (distance) C4'-P energy: -10.612
bonds (distance) P-C4' energy: -6.325
flat angles C4'-P-C4' energy: -9.902
flat angles P-C4'-P energy: -5.383
tors. eta vs tors. theta energy: -7.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -118.569676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.569676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.569676 (E_RNA)
where:
Base-Base interactions energy: -65.754
where: short stacking energy: -37.651
Base-Backbone interact. energy: -0.686
local terms energy: -52.128885
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -10.918
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -11.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -95.535171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.535171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.535171 (E_RNA)
where:
Base-Base interactions energy: -49.799
where: short stacking energy: -30.622
Base-Backbone interact. energy: -0.017
local terms energy: -45.719055
where:
bonds (distance) C4'-P energy: -9.424
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -9.904
flat angles P-C4'-P energy: -2.914
tors. eta vs tors. theta energy: -10.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -95.248350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.248350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.248350 (E_RNA)
where:
Base-Base interactions energy: -46.271
where: short stacking energy: -32.428
Base-Backbone interact. energy: -0.018
local terms energy: -48.959680
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -9.974
flat angles C4'-P-C4' energy: -10.690
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -7.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -86.368141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.368141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.368141 (E_RNA)
where:
Base-Base interactions energy: -33.805
where: short stacking energy: -25.188
Base-Backbone interact. energy: -0.080
local terms energy: -52.483740
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -6.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -71.586082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.586082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.586082 (E_RNA)
where:
Base-Base interactions energy: -37.628
where: short stacking energy: -22.652
Base-Backbone interact. energy: 0.385
local terms energy: -34.342610
where:
bonds (distance) C4'-P energy: -11.199
bonds (distance) P-C4' energy: -8.116
flat angles C4'-P-C4' energy: -5.078
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -3.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -57.289427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.289427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.289427 (E_RNA)
where:
Base-Base interactions energy: -26.469
where: short stacking energy: -21.467
Base-Backbone interact. energy: -0.201
local terms energy: -30.619558
where:
bonds (distance) C4'-P energy: -6.880
bonds (distance) P-C4' energy: -8.920
flat angles C4'-P-C4' energy: -9.114
flat angles P-C4'-P energy: -4.790
tors. eta vs tors. theta energy: -0.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -65.038525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.038525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.038525 (E_RNA)
where:
Base-Base interactions energy: -37.795
where: short stacking energy: -24.017
Base-Backbone interact. energy: -0.047
local terms energy: -27.195896
where:
bonds (distance) C4'-P energy: -8.923
bonds (distance) P-C4' energy: -8.221
flat angles C4'-P-C4' energy: -6.597
flat angles P-C4'-P energy: -2.891
tors. eta vs tors. theta energy: -0.563
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: 2
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -70.452380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.452380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.452380 (E_RNA)
where:
Base-Base interactions energy: -35.285
where: short stacking energy: -16.580
Base-Backbone interact. energy: -0.824
local terms energy: -34.342654
where:
bonds (distance) C4'-P energy: -7.846
bonds (distance) P-C4' energy: -12.575
flat angles C4'-P-C4' energy: -7.565
flat angles P-C4'-P energy: -7.458
tors. eta vs tors. theta energy: 1.102
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: 3
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -52.411107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.411107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.411107 (E_RNA)
where:
Base-Base interactions energy: -14.619
where: short stacking energy: -12.631
Base-Backbone interact. energy: 0.054
local terms energy: -37.846404
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -6.844
flat angles C4'-P-C4' energy: -9.189
flat angles P-C4'-P energy: -8.206
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: 1, replica: 6
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -138.030145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.030145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.030145 (E_RNA)
where:
Base-Base interactions energy: -83.861
where: short stacking energy: -38.475
Base-Backbone interact. energy: -0.157
local terms energy: -54.012253
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -11.321
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -9.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -126.757702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.757702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.757702 (E_RNA)
where:
Base-Base interactions energy: -81.647
where: short stacking energy: -37.584
Base-Backbone interact. energy: -0.239
local terms energy: -44.871222
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -7.533
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -7.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -98.196610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.196610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.196610 (E_RNA)
where:
Base-Base interactions energy: -53.990
where: short stacking energy: -25.526
Base-Backbone interact. energy: -0.018
local terms energy: -44.188449
where:
bonds (distance) C4'-P energy: -9.655
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -4.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -97.957034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.957034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.957034 (E_RNA)
where:
Base-Base interactions energy: -50.405
where: short stacking energy: -26.500
Base-Backbone interact. energy: -0.839
local terms energy: -46.713029
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -9.502
flat angles P-C4'-P energy: -4.422
tors. eta vs tors. theta energy: -6.940
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: 5, replica: 7
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -74.849780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.849780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.849780 (E_RNA)
where:
Base-Base interactions energy: -32.927
where: short stacking energy: -25.103
Base-Backbone interact. energy: -0.134
local terms energy: -41.789018
where:
bonds (distance) C4'-P energy: -8.640
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -7.584
flat angles P-C4'-P energy: -5.514
tors. eta vs tors. theta energy: -8.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -89.521212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.521212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.521212 (E_RNA)
where:
Base-Base interactions energy: -54.354
where: short stacking energy: -23.191
Base-Backbone interact. energy: -0.004
local terms energy: -35.163058
where:
bonds (distance) C4'-P energy: -7.814
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -9.346
flat angles P-C4'-P energy: -5.834
tors. eta vs tors. theta energy: -1.275
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: 1
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -69.139120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.139120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.139120 (E_RNA)
where:
Base-Base interactions energy: -37.150
where: short stacking energy: -21.016
Base-Backbone interact. energy: -0.028
local terms energy: -31.960630
where:
bonds (distance) C4'-P energy: -6.708
bonds (distance) P-C4' energy: -8.232
flat angles C4'-P-C4' energy: -7.851
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -1.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -62.640830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.640830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.640830 (E_RNA)
where:
Base-Base interactions energy: -23.774
where: short stacking energy: -18.879
Base-Backbone interact. energy: -0.141
local terms energy: -38.725885
where:
bonds (distance) C4'-P energy: -8.831
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -9.213
flat angles P-C4'-P energy: -4.500
tors. eta vs tors. theta energy: -3.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -64.777193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.777193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.777193 (E_RNA)
where:
Base-Base interactions energy: -29.433
where: short stacking energy: -21.510
Base-Backbone interact. energy: -0.092
local terms energy: -35.251808
where:
bonds (distance) C4'-P energy: -6.920
bonds (distance) P-C4' energy: -10.180
flat angles C4'-P-C4' energy: -7.752
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -1.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -58.814380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.814380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.814380 (E_RNA)
where:
Base-Base interactions energy: -17.510
where: short stacking energy: -13.419
Base-Backbone interact. energy: -0.026
local terms energy: -41.278415
where:
bonds (distance) C4'-P energy: -9.581
bonds (distance) P-C4' energy: -9.693
flat angles C4'-P-C4' energy: -10.932
flat angles P-C4'-P energy: -6.135
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: 1, replica: 6
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -122.983089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.983089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.983089 (E_RNA)
where:
Base-Base interactions energy: -73.385
where: short stacking energy: -34.703
Base-Backbone interact. energy: -0.002
local terms energy: -49.596615
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -9.554
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -8.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -112.116473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.116473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.116473 (E_RNA)
where:
Base-Base interactions energy: -70.518
where: short stacking energy: -25.077
Base-Backbone interact. energy: -0.127
local terms energy: -41.471653
where:
bonds (distance) C4'-P energy: -8.863
bonds (distance) P-C4' energy: -8.058
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -7.880
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: 3, replica: 4
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -125.416772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.416772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.416772 (E_RNA)
where:
Base-Base interactions energy: -71.521
where: short stacking energy: -32.485
Base-Backbone interact. energy: -1.124
local terms energy: -52.772411
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -8.544
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: 7
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -70.422152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.422152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.422152 (E_RNA)
where:
Base-Base interactions energy: -22.104
where: short stacking energy: -22.104
Base-Backbone interact. energy: -0.117
local terms energy: -48.201722
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -10.094
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -9.964
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: 5, replica: 9
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -87.523059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.523059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.523059 (E_RNA)
where:
Base-Base interactions energy: -36.288
where: short stacking energy: -25.128
Base-Backbone interact. energy: -0.149
local terms energy: -51.085870
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -10.319
flat angles P-C4'-P energy: -9.267
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: 6, replica: 1
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -74.200829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.200829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.200829 (E_RNA)
where:
Base-Base interactions energy: -32.225
where: short stacking energy: -25.922
Base-Backbone interact. energy: -0.012
local terms energy: -41.964428
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -10.397
flat angles P-C4'-P energy: -3.570
tors. eta vs tors. theta energy: -3.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -67.945254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.945254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.945254 (E_RNA)
where:
Base-Base interactions energy: -31.998
where: short stacking energy: -25.995
Base-Backbone interact. energy: -0.774
local terms energy: -35.173887
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -7.261
flat angles P-C4'-P energy: -4.540
tors. eta vs tors. theta energy: -2.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -61.868086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.868086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.868086 (E_RNA)
where:
Base-Base interactions energy: -27.475
where: short stacking energy: -17.816
Base-Backbone interact. energy: -0.538
local terms energy: -33.854964
where:
bonds (distance) C4'-P energy: -8.774
bonds (distance) P-C4' energy: -8.076
flat angles C4'-P-C4' energy: -8.822
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -1.101
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: 5
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -63.550347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.550347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.550347 (E_RNA)
where:
Base-Base interactions energy: -25.664
where: short stacking energy: -16.069
Base-Backbone interact. energy: -0.096
local terms energy: -37.790058
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -11.095
flat angles C4'-P-C4' energy: -8.807
flat angles P-C4'-P energy: -5.207
tors. eta vs tors. theta energy: -2.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -55.043144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.043144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.043144 (E_RNA)
where:
Base-Base interactions energy: -13.129
where: short stacking energy: -13.129
Base-Backbone interact. energy: -0.012
local terms energy: -41.902225
where:
bonds (distance) C4'-P energy: -7.408
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -5.078
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: 1, replica: 6
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -135.319241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.319241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.319241 (E_RNA)
where:
Base-Base interactions energy: -84.466
where: short stacking energy: -43.442
Base-Backbone interact. energy: -0.163
local terms energy: -50.690089
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -4.927
tors. eta vs tors. theta energy: -12.042
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: 2, replica: 8
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -112.567929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.567929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.567929 (E_RNA)
where:
Base-Base interactions energy: -60.415
where: short stacking energy: -38.267
Base-Backbone interact. energy: -0.258
local terms energy: -51.895132
where:
bonds (distance) C4'-P energy: -9.821
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -9.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -73.550676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.550676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.550676 (E_RNA)
where:
Base-Base interactions energy: -30.242
where: short stacking energy: -17.902
Base-Backbone interact. energy: -0.135
local terms energy: -43.173948
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -10.077
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -2.099
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: 184
Temperature: 1.050000
Total energy: -91.985518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.985518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.985518 (E_RNA)
where:
Base-Base interactions energy: -48.515
where: short stacking energy: -19.223
Base-Backbone interact. energy: -0.228
local terms energy: -43.242971
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -8.784
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -2.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -66.453501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.453501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.453501 (E_RNA)
where:
Base-Base interactions energy: -25.616
where: short stacking energy: -25.616
Base-Backbone interact. energy: -0.028
local terms energy: -40.809888
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -2.248
tors. eta vs tors. theta energy: -3.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -69.537937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.537937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.537937 (E_RNA)
where:
Base-Base interactions energy: -33.198
where: short stacking energy: -22.203
Base-Backbone interact. energy: -0.829
local terms energy: -35.510742
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -8.485
flat angles C4'-P-C4' energy: -7.923
flat angles P-C4'-P energy: -3.388
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: 7, replica: 3
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -64.595068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.595068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.595068 (E_RNA)
where:
Base-Base interactions energy: -17.947
where: short stacking energy: -15.883
Base-Backbone interact. energy: -0.676
local terms energy: -45.971950
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -10.778
flat angles C4'-P-C4' energy: -10.540
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -6.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -76.255715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.255715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.255715 (E_RNA)
where:
Base-Base interactions energy: -27.199
where: short stacking energy: -23.816
Base-Backbone interact. energy: -0.004
local terms energy: -49.052193
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -6.223
tors. eta vs tors. theta energy: -6.377
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: 9, replica: 5
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -61.062140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.062140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.062140 (E_RNA)
where:
Base-Base interactions energy: -21.386
where: short stacking energy: -13.343
Base-Backbone interact. energy: -0.120
local terms energy: -39.556348
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -9.484
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: 0.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -57.032971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.032971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.032971 (E_RNA)
where:
Base-Base interactions energy: -24.556
where: short stacking energy: -3.847
Base-Backbone interact. energy: -0.044
local terms energy: -32.432593
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -7.469
flat angles P-C4'-P energy: -5.763
tors. eta vs tors. theta energy: 6.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -124.885951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.885951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.885951 (E_RNA)
where:
Base-Base interactions energy: -76.404
where: short stacking energy: -39.698
Base-Backbone interact. energy: -0.238
local terms energy: -48.243655
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -8.761
flat angles P-C4'-P energy: -9.868
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: 2, replica: 8
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -105.739933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.739933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.739933 (E_RNA)
where:
Base-Base interactions energy: -62.720
where: short stacking energy: -27.115
Base-Backbone interact. energy: -0.526
local terms energy: -42.494223
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -9.589
flat angles P-C4'-P energy: -6.824
tors. eta vs tors. theta energy: -2.075
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: 7
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -82.530550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.530550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.530550 (E_RNA)
where:
Base-Base interactions energy: -39.095
where: short stacking energy: -37.562
Base-Backbone interact. energy: -0.000
local terms energy: -43.435175
where:
bonds (distance) C4'-P energy: -6.724
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -5.849
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: 185
Temperature: 1.050000
Total energy: -72.091839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.091839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.091839 (E_RNA)
where:
Base-Base interactions energy: -36.975
where: short stacking energy: -20.340
Base-Backbone interact. energy: 0.586
local terms energy: -35.703244
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -10.941
flat angles P-C4'-P energy: -1.224
tors. eta vs tors. theta energy: -0.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -71.690265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.690265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.690265 (E_RNA)
where:
Base-Base interactions energy: -33.005
where: short stacking energy: -24.398
Base-Backbone interact. energy: -0.125
local terms energy: -38.560282
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -9.342
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -6.506
tors. eta vs tors. theta energy: 1.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -74.245625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.245625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.245625 (E_RNA)
where:
Base-Base interactions energy: -29.161
where: short stacking energy: -20.111
Base-Backbone interact. energy: 0.546
local terms energy: -45.630985
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -9.091
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -4.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -58.440735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.440735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.440735 (E_RNA)
where:
Base-Base interactions energy: -20.794
where: short stacking energy: -13.942
Base-Backbone interact. energy: -0.058
local terms energy: -37.587967
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -4.846
tors. eta vs tors. theta energy: 1.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -57.838749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.838749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.838749 (E_RNA)
where:
Base-Base interactions energy: -27.805
where: short stacking energy: -18.066
Base-Backbone interact. energy: -0.091
local terms energy: -29.942443
where:
bonds (distance) C4'-P energy: -5.569
bonds (distance) P-C4' energy: -3.196
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -0.302
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: 9, replica: 5
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -59.451701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.451701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.451701 (E_RNA)
where:
Base-Base interactions energy: -23.521
where: short stacking energy: -18.773
Base-Backbone interact. energy: -0.167
local terms energy: -35.764072
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -9.894
flat angles C4'-P-C4' energy: -7.134
flat angles P-C4'-P energy: -3.712
tors. eta vs tors. theta energy: -2.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -56.368476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.368476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.368476 (E_RNA)
where:
Base-Base interactions energy: -18.361
where: short stacking energy: -11.858
Base-Backbone interact. energy: -0.117
local terms energy: -37.890417
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -10.389
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: 1.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -130.215502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.215502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.215502 (E_RNA)
where:
Base-Base interactions energy: -79.244
where: short stacking energy: -35.762
Base-Backbone interact. energy: -0.002
local terms energy: -50.969691
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: -8.529
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: 186
Temperature: 0.950000
Total energy: -112.701118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.701118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.701118 (E_RNA)
where:
Base-Base interactions energy: -61.715
where: short stacking energy: -29.714
Base-Backbone interact. energy: -0.855
local terms energy: -50.131587
where:
bonds (distance) C4'-P energy: -7.983
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -8.392
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: 1
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -82.119402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.119402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.119402 (E_RNA)
where:
Base-Base interactions energy: -40.857
where: short stacking energy: -31.487
Base-Backbone interact. energy: -0.046
local terms energy: -41.216480
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -6.722
flat angles P-C4'-P energy: -6.363
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: 4, replica: 7
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -83.088175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.088175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.088175 (E_RNA)
where:
Base-Base interactions energy: -37.582
where: short stacking energy: -37.582
Base-Backbone interact. energy: 0.336
local terms energy: -45.842010
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -7.448
flat angles C4'-P-C4' energy: -9.263
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -11.939
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: 9
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -66.087635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.087635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.087635 (E_RNA)
where:
Base-Base interactions energy: -29.494
where: short stacking energy: -3.568
Base-Backbone interact. energy: -0.069
local terms energy: -36.524298
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -8.137
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: 1.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -74.324380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.324380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.324380 (E_RNA)
where:
Base-Base interactions energy: -33.370
where: short stacking energy: -19.300
Base-Backbone interact. energy: -0.120
local terms energy: -40.834582
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -9.782
flat angles C4'-P-C4' energy: -8.935
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -3.299
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: 10
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -64.877383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.877383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.877383 (E_RNA)
where:
Base-Base interactions energy: -25.987
where: short stacking energy: -20.541
Base-Backbone interact. energy: -0.114
local terms energy: -38.775657
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -8.528
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -4.736
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: 8, replica: 3
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -66.295588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.295588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.295588 (E_RNA)
where:
Base-Base interactions energy: -31.012
where: short stacking energy: -12.136
Base-Backbone interact. energy: -0.726
local terms energy: -34.557858
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -9.806
flat angles C4'-P-C4' energy: -6.217
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: 1.872
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: 186
Temperature: 1.300000
Total energy: -52.631595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.631595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.631595 (E_RNA)
where:
Base-Base interactions energy: -18.856
where: short stacking energy: -12.521
Base-Backbone interact. energy: -0.281
local terms energy: -33.494961
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -9.474
flat angles C4'-P-C4' energy: -8.773
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: 2.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -56.994246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.994246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.994246 (E_RNA)
where:
Base-Base interactions energy: -22.012
where: short stacking energy: -10.729
Base-Backbone interact. energy: -0.191
local terms energy: -34.790757
where:
bonds (distance) C4'-P energy: -3.970
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -9.219
flat angles P-C4'-P energy: -5.586
tors. eta vs tors. theta energy: -4.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -129.612526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.612526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.612526 (E_RNA)
where:
Base-Base interactions energy: -80.226
where: short stacking energy: -44.919
Base-Backbone interact. energy: -0.001
local terms energy: -49.385343
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -7.791
flat angles C4'-P-C4' energy: -10.223
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -12.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -99.155054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.155054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.155054 (E_RNA)
where:
Base-Base interactions energy: -47.400
where: short stacking energy: -29.311
Base-Backbone interact. energy: -0.000
local terms energy: -51.755043
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -11.079
flat angles C4'-P-C4' energy: -11.158
flat angles P-C4'-P energy: -3.996
tors. eta vs tors. theta energy: -14.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -78.497687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.497687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.497687 (E_RNA)
where:
Base-Base interactions energy: -32.808
where: short stacking energy: -24.057
Base-Backbone interact. energy: -0.040
local terms energy: -45.649409
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -10.595
flat angles C4'-P-C4' energy: -10.039
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -3.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -82.315189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.315189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.315189 (E_RNA)
where:
Base-Base interactions energy: -36.587
where: short stacking energy: -28.583
Base-Backbone interact. energy: -0.028
local terms energy: -45.700312
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -5.800
tors. eta vs tors. theta energy: -4.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -79.404833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.404833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.404833 (E_RNA)
where:
Base-Base interactions energy: -37.990
where: short stacking energy: -17.183
Base-Backbone interact. energy: -0.416
local terms energy: -40.999512
where:
bonds (distance) C4'-P energy: -7.175
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -7.879
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -4.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -63.581363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.581363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.581363 (E_RNA)
where:
Base-Base interactions energy: -24.413
where: short stacking energy: -24.413
Base-Backbone interact. energy: -0.274
local terms energy: -38.894615
where:
bonds (distance) C4'-P energy: -7.941
bonds (distance) P-C4' energy: -10.236
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -3.028
tors. eta vs tors. theta energy: -6.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -62.218987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.218987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.218987 (E_RNA)
where:
Base-Base interactions energy: -16.785
where: short stacking energy: -11.948
Base-Backbone interact. energy: -0.870
local terms energy: -44.563933
where:
bonds (distance) C4'-P energy: -10.259
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -10.145
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -3.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -58.861209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.861209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.861209 (E_RNA)
where:
Base-Base interactions energy: -19.304
where: short stacking energy: -18.312
Base-Backbone interact. energy: -0.033
local terms energy: -39.523471
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -9.253
flat angles P-C4'-P energy: -3.174
tors. eta vs tors. theta energy: -5.791
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: 3
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -64.299232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.299232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.299232 (E_RNA)
where:
Base-Base interactions energy: -30.385
where: short stacking energy: -22.694
Base-Backbone interact. energy: 0.470
local terms energy: -34.383518
where:
bonds (distance) C4'-P energy: -8.170
bonds (distance) P-C4' energy: -8.876
flat angles C4'-P-C4' energy: -10.124
flat angles P-C4'-P energy: -5.559
tors. eta vs tors. theta energy: -1.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -58.387777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.387777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.387777 (E_RNA)
where:
Base-Base interactions energy: -15.747
where: short stacking energy: -13.028
Base-Backbone interact. energy: -0.051
local terms energy: -42.589293
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -10.755
flat angles P-C4'-P energy: -6.282
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: 1, replica: 6
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -132.622893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.622893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.622893 (E_RNA)
where:
Base-Base interactions energy: -78.902
where: short stacking energy: -39.720
Base-Backbone interact. energy: -0.000
local terms energy: -53.720192
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -2.020
tors. eta vs tors. theta energy: -15.970
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: 2, replica: 8
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -102.314833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.314833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.314833 (E_RNA)
where:
Base-Base interactions energy: -62.511
where: short stacking energy: -32.732
Base-Backbone interact. energy: -0.061
local terms energy: -39.743166
where:
bonds (distance) C4'-P energy: -8.597
bonds (distance) P-C4' energy: -9.335
flat angles C4'-P-C4' energy: -7.155
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -4.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -106.445918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.445918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.445918 (E_RNA)
where:
Base-Base interactions energy: -64.183
where: short stacking energy: -30.127
Base-Backbone interact. energy: 0.617
local terms energy: -42.879867
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -7.987
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -2.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -74.622853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.622853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.622853 (E_RNA)
where:
Base-Base interactions energy: -25.260
where: short stacking energy: -25.260
Base-Backbone interact. energy: -0.071
local terms energy: -49.291534
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -8.533
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -10.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -76.317803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.317803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.317803 (E_RNA)
where:
Base-Base interactions energy: -42.451
where: short stacking energy: -19.574
Base-Backbone interact. energy: -0.142
local terms energy: -33.725286
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -8.238
flat angles C4'-P-C4' energy: -7.014
flat angles P-C4'-P energy: -6.154
tors. eta vs tors. theta energy: -2.267
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: 10
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -67.138423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.138423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.138423 (E_RNA)
where:
Base-Base interactions energy: -31.429
where: short stacking energy: -10.011
Base-Backbone interact. energy: -2.014
local terms energy: -33.695309
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -8.974
flat angles P-C4'-P energy: -4.766
tors. eta vs tors. theta energy: 2.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -60.299141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.299141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.299141 (E_RNA)
where:
Base-Base interactions energy: -22.746
where: short stacking energy: -14.101
Base-Backbone interact. energy: -0.105
local terms energy: -37.447667
where:
bonds (distance) C4'-P energy: -6.610
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -9.758
flat angles P-C4'-P energy: -9.142
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: 8, replica: 4
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -59.278863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.278863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.278863 (E_RNA)
where:
Base-Base interactions energy: -21.837
where: short stacking energy: -12.225
Base-Backbone interact. energy: -0.254
local terms energy: -37.187053
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -5.206
flat angles P-C4'-P energy: -8.007
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: 9, replica: 3
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -61.688078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.688078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.688078 (E_RNA)
where:
Base-Base interactions energy: -22.502
where: short stacking energy: -20.818
Base-Backbone interact. energy: -0.115
local terms energy: -39.070529
where:
bonds (distance) C4'-P energy: -9.502
bonds (distance) P-C4' energy: -10.007
flat angles C4'-P-C4' energy: -9.726
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -2.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -52.013285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.013285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.013285 (E_RNA)
where:
Base-Base interactions energy: -14.000
where: short stacking energy: -9.146
Base-Backbone interact. energy: 0.018
local terms energy: -38.031156
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -8.860
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -0.903
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: 6
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -127.920193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.920193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.920193 (E_RNA)
where:
Base-Base interactions energy: -76.565
where: short stacking energy: -35.454
Base-Backbone interact. energy: 0.333
local terms energy: -51.688041
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -10.027
flat angles C4'-P-C4' energy: -11.479
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -11.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -116.236529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.236529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.236529 (E_RNA)
where:
Base-Base interactions energy: -69.434
where: short stacking energy: -27.990
Base-Backbone interact. energy: 0.640
local terms energy: -47.442149
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -5.407
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: 7
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -108.201169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.201169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.201169 (E_RNA)
where:
Base-Base interactions energy: -65.720
where: short stacking energy: -32.341
Base-Backbone interact. energy: -0.073
local terms energy: -42.407935
where:
bonds (distance) C4'-P energy: -8.405
bonds (distance) P-C4' energy: -10.218
flat angles C4'-P-C4' energy: -10.586
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -6.373
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: 9
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -70.953131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.953131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.953131 (E_RNA)
where:
Base-Base interactions energy: -32.208
where: short stacking energy: -17.682
Base-Backbone interact. energy: -0.530
local terms energy: -38.214306
where:
bonds (distance) C4'-P energy: -11.261
bonds (distance) P-C4' energy: -11.379
flat angles C4'-P-C4' energy: -9.074
flat angles P-C4'-P energy: -7.492
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: 5, replica: 1
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -75.082850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.082850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.082850 (E_RNA)
where:
Base-Base interactions energy: -39.665
where: short stacking energy: -23.223
Base-Backbone interact. energy: 0.105
local terms energy: -35.523221
where:
bonds (distance) C4'-P energy: -7.673
bonds (distance) P-C4' energy: -10.644
flat angles C4'-P-C4' energy: -7.853
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -0.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -75.530313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.530313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.530313 (E_RNA)
where:
Base-Base interactions energy: -33.732
where: short stacking energy: -23.120
Base-Backbone interact. energy: -0.037
local terms energy: -41.761985
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -11.285
flat angles C4'-P-C4' energy: -8.905
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -0.261
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: 2
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -64.417376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.417376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.417376 (E_RNA)
where:
Base-Base interactions energy: -25.396
where: short stacking energy: -21.225
Base-Backbone interact. energy: 0.383
local terms energy: -39.404718
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -12.431
flat angles C4'-P-C4' energy: -7.915
flat angles P-C4'-P energy: -5.509
tors. eta vs tors. theta energy: -2.118
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: 3
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -55.181446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.181446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.181446 (E_RNA)
where:
Base-Base interactions energy: -17.679
where: short stacking energy: -16.095
Base-Backbone interact. energy: -0.044
local terms energy: -37.458357
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -10.293
flat angles C4'-P-C4' energy: -10.073
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: 1.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -60.475356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.475356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.475356 (E_RNA)
where:
Base-Base interactions energy: -22.858
where: short stacking energy: -19.296
Base-Backbone interact. energy: -0.796
local terms energy: -36.821427
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -7.108
flat angles C4'-P-C4' energy: -10.015
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -2.597
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: 189
Temperature: 1.350000
Total energy: -58.877382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.877382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.877382 (E_RNA)
where:
Base-Base interactions energy: -17.273
where: short stacking energy: -13.788
Base-Backbone interact. energy: -0.004
local terms energy: -41.599957
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -8.771
flat angles P-C4'-P energy: -4.442
tors. eta vs tors. theta energy: -5.777
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: 1, replica: 8
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -122.281647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.281647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.281647 (E_RNA)
where:
Base-Base interactions energy: -68.600
where: short stacking energy: -33.701
Base-Backbone interact. energy: -0.004
local terms energy: -53.676957
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -10.367
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: 6
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -129.895994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.895994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.895994 (E_RNA)
where:
Base-Base interactions energy: -75.440
where: short stacking energy: -37.993
Base-Backbone interact. energy: -0.003
local terms energy: -54.453235
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -10.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -78.667132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.667132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.667132 (E_RNA)
where:
Base-Base interactions energy: -31.628
where: short stacking energy: -31.628
Base-Backbone interact. energy: -0.075
local terms energy: -46.963643
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -5.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -99.621535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.621535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.621535 (E_RNA)
where:
Base-Base interactions energy: -52.119
where: short stacking energy: -30.271
Base-Backbone interact. energy: -0.094
local terms energy: -47.408735
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: -6.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -86.869019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.869019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.869019 (E_RNA)
where:
Base-Base interactions energy: -39.848
where: short stacking energy: -25.785
Base-Backbone interact. energy: -0.681
local terms energy: -46.340808
where:
bonds (distance) C4'-P energy: -9.114
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -9.352
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -8.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -64.188051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.188051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.188051 (E_RNA)
where:
Base-Base interactions energy: -19.417
where: short stacking energy: -17.327
Base-Backbone interact. energy: -0.103
local terms energy: -44.667837
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -10.670
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -2.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -63.158470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.158470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.158470 (E_RNA)
where:
Base-Base interactions energy: -29.581
where: short stacking energy: -15.003
Base-Backbone interact. energy: -0.004
local terms energy: -33.573608
where:
bonds (distance) C4'-P energy: -7.811
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -8.536
flat angles P-C4'-P energy: -4.854
tors. eta vs tors. theta energy: -1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -60.929203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.929203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.929203 (E_RNA)
where:
Base-Base interactions energy: -27.330
where: short stacking energy: -17.810
Base-Backbone interact. energy: -0.112
local terms energy: -33.486270
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -9.320
flat angles P-C4'-P energy: -4.332
tors. eta vs tors. theta energy: 1.215
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: 5
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -56.292497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.292497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.292497 (E_RNA)
where:
Base-Base interactions energy: -21.779
where: short stacking energy: -14.843
Base-Backbone interact. energy: -0.278
local terms energy: -34.235206
where:
bonds (distance) C4'-P energy: -8.112
bonds (distance) P-C4' energy: -10.349
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -4.427
tors. eta vs tors. theta energy: -0.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -65.543481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.543481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.543481 (E_RNA)
where:
Base-Base interactions energy: -28.624
where: short stacking energy: -24.277
Base-Backbone interact. energy: -0.102
local terms energy: -36.817254
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -7.458
flat angles C4'-P-C4' energy: -6.705
flat angles P-C4'-P energy: -7.401
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: 8
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -131.215268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.215268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.215268 (E_RNA)
where:
Base-Base interactions energy: -80.264
where: short stacking energy: -37.930
Base-Backbone interact. energy: 0.077
local terms energy: -51.028234
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -7.383
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -9.258
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: 2, replica: 6
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -124.504078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.504078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.504078 (E_RNA)
where:
Base-Base interactions energy: -75.794
where: short stacking energy: -35.007
Base-Backbone interact. energy: -0.000
local terms energy: -48.710043
where:
bonds (distance) C4'-P energy: -10.400
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -8.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -90.218920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.218920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.218920 (E_RNA)
where:
Base-Base interactions energy: -45.565
where: short stacking energy: -38.801
Base-Backbone interact. energy: -0.004
local terms energy: -44.649799
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -8.479
flat angles C4'-P-C4' energy: -9.337
flat angles P-C4'-P energy: -6.166
tors. eta vs tors. theta energy: -9.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -109.390203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.390203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.390203 (E_RNA)
where:
Base-Base interactions energy: -64.129
where: short stacking energy: -36.073
Base-Backbone interact. energy: 0.326
local terms energy: -45.586483
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -6.819
tors. eta vs tors. theta energy: -7.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -84.857911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.857911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.857911 (E_RNA)
where:
Base-Base interactions energy: -35.228
where: short stacking energy: -35.228
Base-Backbone interact. energy: -0.020
local terms energy: -49.610592
where:
bonds (distance) C4'-P energy: -7.578
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: -9.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -72.861442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.861442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.861442 (E_RNA)
where:
Base-Base interactions energy: -35.800
where: short stacking energy: -18.511
Base-Backbone interact. energy: 0.079
local terms energy: -37.141116
where:
bonds (distance) C4'-P energy: -10.376
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -11.090
flat angles P-C4'-P energy: -5.431
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: 7, replica: 3
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -65.118745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.118745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.118745 (E_RNA)
where:
Base-Base interactions energy: -31.520
where: short stacking energy: -17.370
Base-Backbone interact. energy: -0.109
local terms energy: -33.489395
where:
bonds (distance) C4'-P energy: -4.149
bonds (distance) P-C4' energy: -9.697
flat angles C4'-P-C4' energy: -10.494
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -1.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -71.382717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.382717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.382717 (E_RNA)
where:
Base-Base interactions energy: -35.958
where: short stacking energy: -22.146
Base-Backbone interact. energy: -0.012
local terms energy: -35.412421
where:
bonds (distance) C4'-P energy: -8.070
bonds (distance) P-C4' energy: -7.967
flat angles C4'-P-C4' energy: -5.486
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -6.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -56.069328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.069328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.069328 (E_RNA)
where:
Base-Base interactions energy: -21.365
where: short stacking energy: -19.816
Base-Backbone interact. energy: -0.148
local terms energy: -34.555773
where:
bonds (distance) C4'-P energy: -8.094
bonds (distance) P-C4' energy: -8.731
flat angles C4'-P-C4' energy: -8.396
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -1.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -52.430787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.430787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.430787 (E_RNA)
where:
Base-Base interactions energy: -22.501
where: short stacking energy: -14.627
Base-Backbone interact. energy: -0.060
local terms energy: -29.870006
where:
bonds (distance) C4'-P energy: -9.428
bonds (distance) P-C4' energy: -2.797
flat angles C4'-P-C4' energy: -11.045
flat angles P-C4'-P energy: -5.369
tors. eta vs tors. theta energy: -1.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -121.418184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.418184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.418184 (E_RNA)
where:
Base-Base interactions energy: -66.383
where: short stacking energy: -29.565
Base-Backbone interact. energy: -0.001
local terms energy: -55.034980
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -11.714
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -11.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -114.958312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.958312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.958312 (E_RNA)
where:
Base-Base interactions energy: -75.976
where: short stacking energy: -22.634
Base-Backbone interact. energy: -0.096
local terms energy: -38.886094
where:
bonds (distance) C4'-P energy: -9.495
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -9.079
flat angles P-C4'-P energy: -6.501
tors. eta vs tors. theta energy: -0.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -96.354045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.354045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.354045 (E_RNA)
where:
Base-Base interactions energy: -53.796
where: short stacking energy: -21.150
Base-Backbone interact. energy: -0.073
local terms energy: -42.484840
where:
bonds (distance) C4'-P energy: -8.195
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -9.700
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -4.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -79.877653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.877653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.877653 (E_RNA)
where:
Base-Base interactions energy: -36.829
where: short stacking energy: -28.628
Base-Backbone interact. energy: -0.096
local terms energy: -42.953164
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -7.868
flat angles C4'-P-C4' energy: -8.695
flat angles P-C4'-P energy: -6.523
tors. eta vs tors. theta energy: -7.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -73.089127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.089127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.089127 (E_RNA)
where:
Base-Base interactions energy: -26.341
where: short stacking energy: -25.216
Base-Backbone interact. energy: -0.047
local terms energy: -46.700897
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -10.292
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -5.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -69.939585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.939585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.939585 (E_RNA)
where:
Base-Base interactions energy: -28.608
where: short stacking energy: -27.751
Base-Backbone interact. energy: -0.026
local terms energy: -41.305552
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -8.539
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -3.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -65.424408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.424408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.424408 (E_RNA)
where:
Base-Base interactions energy: -27.994
where: short stacking energy: -14.470
Base-Backbone interact. energy: -1.866
local terms energy: -35.564039
where:
bonds (distance) C4'-P energy: -8.936
bonds (distance) P-C4' energy: -8.744
flat angles C4'-P-C4' energy: -9.701
flat angles P-C4'-P energy: -5.784
tors. eta vs tors. theta energy: -2.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -57.874004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.874004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.874004 (E_RNA)
where:
Base-Base interactions energy: -25.007
where: short stacking energy: -17.209
Base-Backbone interact. energy: -0.012
local terms energy: -32.855192
where:
bonds (distance) C4'-P energy: -8.633
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -10.925
flat angles P-C4'-P energy: 0.200
tors. eta vs tors. theta energy: -0.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -65.137513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.137513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.137513 (E_RNA)
where:
Base-Base interactions energy: -29.162
where: short stacking energy: -26.947
Base-Backbone interact. energy: -0.272
local terms energy: -35.703284
where:
bonds (distance) C4'-P energy: -4.281
bonds (distance) P-C4' energy: -9.960
flat angles C4'-P-C4' energy: -9.710
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -3.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -54.183211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.183211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.183211 (E_RNA)
where:
Base-Base interactions energy: -16.889
where: short stacking energy: -16.889
Base-Backbone interact. energy: -0.218
local terms energy: -37.076813
where:
bonds (distance) C4'-P energy: -8.154
bonds (distance) P-C4' energy: -8.521
flat angles C4'-P-C4' energy: -10.797
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -1.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -117.722552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.722552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.722552 (E_RNA)
where:
Base-Base interactions energy: -71.633
where: short stacking energy: -35.821
Base-Backbone interact. energy: -0.002
local terms energy: -46.087730
where:
bonds (distance) C4'-P energy: -8.737
bonds (distance) P-C4' energy: -10.514
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -2.791
tors. eta vs tors. theta energy: -11.171
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: 2, replica: 10
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -99.032314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.032314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.032314 (E_RNA)
where:
Base-Base interactions energy: -54.207
where: short stacking energy: -29.961
Base-Backbone interact. energy: -1.266
local terms energy: -43.558863
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -7.101
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -3.932
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: 3, replica: 6
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -135.579503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.579503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.579503 (E_RNA)
where:
Base-Base interactions energy: -86.379
where: short stacking energy: -34.843
Base-Backbone interact. energy: -0.446
local terms energy: -48.753998
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -5.503
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: 193
Temperature: 1.050000
Total energy: -88.227758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.227758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.227758 (E_RNA)
where:
Base-Base interactions energy: -39.025
where: short stacking energy: -35.482
Base-Backbone interact. energy: -0.046
local terms energy: -49.156901
where:
bonds (distance) C4'-P energy: -9.585
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -8.341
flat angles P-C4'-P energy: -6.473
tors. eta vs tors. theta energy: -11.777
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: 9
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -74.029599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.029599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.029599 (E_RNA)
where:
Base-Base interactions energy: -35.752
where: short stacking energy: -18.560
Base-Backbone interact. energy: -0.236
local terms energy: -38.041685
where:
bonds (distance) C4'-P energy: -9.374
bonds (distance) P-C4' energy: -8.806
flat angles C4'-P-C4' energy: -9.719
flat angles P-C4'-P energy: -4.319
tors. eta vs tors. theta energy: -5.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -87.018132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.018132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.018132 (E_RNA)
where:
Base-Base interactions energy: -56.778
where: short stacking energy: -28.276
Base-Backbone interact. energy: -0.075
local terms energy: -30.165155
where:
bonds (distance) C4'-P energy: -7.999
bonds (distance) P-C4' energy: -6.110
flat angles C4'-P-C4' energy: -8.133
flat angles P-C4'-P energy: -5.674
tors. eta vs tors. theta energy: -2.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -67.506299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.506299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.506299 (E_RNA)
where:
Base-Base interactions energy: -23.323
where: short stacking energy: -23.323
Base-Backbone interact. energy: -0.004
local terms energy: -44.180206
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -9.213
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -4.069
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: 8, replica: 4
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -69.666023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.666023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.666023 (E_RNA)
where:
Base-Base interactions energy: -23.131
where: short stacking energy: -23.131
Base-Backbone interact. energy: -0.011
local terms energy: -46.524017
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -8.053
flat angles C4'-P-C4' energy: -11.039
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -8.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -58.153755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.153755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.153755 (E_RNA)
where:
Base-Base interactions energy: -19.128
where: short stacking energy: -18.717
Base-Backbone interact. energy: -0.000
local terms energy: -39.026141
where:
bonds (distance) C4'-P energy: -8.630
bonds (distance) P-C4' energy: -11.790
flat angles C4'-P-C4' energy: -9.992
flat angles P-C4'-P energy: -4.265
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: 2
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -66.496862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.496862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.496862 (E_RNA)
where:
Base-Base interactions energy: -24.388
where: short stacking energy: -22.197
Base-Backbone interact. energy: 0.206
local terms energy: -42.313944
where:
bonds (distance) C4'-P energy: -7.060
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -4.861
tors. eta vs tors. theta energy: -8.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -135.740262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.740262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.740262 (E_RNA)
where:
Base-Base interactions energy: -82.466
where: short stacking energy: -39.025
Base-Backbone interact. energy: -0.010
local terms energy: -53.264000
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -9.935
flat angles P-C4'-P energy: -9.537
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: 2, replica: 10
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -83.666065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.666065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.666065 (E_RNA)
where:
Base-Base interactions energy: -34.817
where: short stacking energy: -26.095
Base-Backbone interact. energy: -0.082
local terms energy: -48.767460
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -8.603
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: 3, replica: 1
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -76.069991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.069991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.069991 (E_RNA)
where:
Base-Base interactions energy: -27.579
where: short stacking energy: -23.444
Base-Backbone interact. energy: -0.013
local terms energy: -48.478375
where:
bonds (distance) C4'-P energy: -7.756
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -10.902
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -6.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -135.010025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.010025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.010025 (E_RNA)
where:
Base-Base interactions energy: -86.245
where: short stacking energy: -32.674
Base-Backbone interact. energy: -0.684
local terms energy: -48.080479
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -7.782
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: 3
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -90.087149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.087149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.087149 (E_RNA)
where:
Base-Base interactions energy: -43.938
where: short stacking energy: -26.459
Base-Backbone interact. energy: -0.053
local terms energy: -46.096041
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -10.329
flat angles C4'-P-C4' energy: -9.898
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -4.894
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: 9
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -73.274374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.274374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.274374 (E_RNA)
where:
Base-Base interactions energy: -36.058
where: short stacking energy: -17.530
Base-Backbone interact. energy: -0.575
local terms energy: -36.641545
where:
bonds (distance) C4'-P energy: -6.053
bonds (distance) P-C4' energy: -11.194
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -0.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -58.432924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.432924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.432924 (E_RNA)
where:
Base-Base interactions energy: -15.421
where: short stacking energy: -15.421
Base-Backbone interact. energy: -0.005
local terms energy: -43.006741
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -8.338
flat angles P-C4'-P energy: -9.174
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: 8, replica: 7
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -61.221846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.221846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.221846 (E_RNA)
where:
Base-Base interactions energy: -18.663
where: short stacking energy: -18.663
Base-Backbone interact. energy: -0.049
local terms energy: -42.509829
where:
bonds (distance) C4'-P energy: -10.939
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -10.968
flat angles P-C4'-P energy: -5.472
tors. eta vs tors. theta energy: -2.394
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: 9, replica: 2
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -67.808993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.808993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.808993 (E_RNA)
where:
Base-Base interactions energy: -30.836
where: short stacking energy: -15.729
Base-Backbone interact. energy: -0.092
local terms energy: -36.880571
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -7.628
flat angles P-C4'-P energy: -4.486
tors. eta vs tors. theta energy: -1.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -66.468638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.468638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.468638 (E_RNA)
where:
Base-Base interactions energy: -23.452
where: short stacking energy: -19.961
Base-Backbone interact. energy: 1.098
local terms energy: -44.113906
where:
bonds (distance) C4'-P energy: -9.106
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -5.345
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: 8
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -121.506707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.506707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.506707 (E_RNA)
where:
Base-Base interactions energy: -71.529
where: short stacking energy: -36.874
Base-Backbone interact. energy: -0.000
local terms energy: -49.977186
where:
bonds (distance) C4'-P energy: -9.060
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -10.892
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -9.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -81.002606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.002606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.002606 (E_RNA)
where:
Base-Base interactions energy: -36.193
where: short stacking energy: -33.388
Base-Backbone interact. energy: -0.006
local terms energy: -44.803134
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -10.305
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -6.789
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: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -81.664500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.664500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.664500 (E_RNA)
where:
Base-Base interactions energy: -30.685
where: short stacking energy: -29.068
Base-Backbone interact. energy: -0.642
local terms energy: -50.337825
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -9.675
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -7.527
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: 6
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -115.171199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.171199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.171199 (E_RNA)
where:
Base-Base interactions energy: -74.000
where: short stacking energy: -31.067
Base-Backbone interact. energy: -0.266
local terms energy: -40.906109
where:
bonds (distance) C4'-P energy: -8.777
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -6.620
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -4.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -72.991169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.991169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.991169 (E_RNA)
where:
Base-Base interactions energy: -31.605
where: short stacking energy: -21.159
Base-Backbone interact. energy: -0.732
local terms energy: -40.654000
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: 2.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -65.415297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.415297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.415297 (E_RNA)
where:
Base-Base interactions energy: -25.853
where: short stacking energy: -15.779
Base-Backbone interact. energy: -0.628
local terms energy: -38.934097
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -10.493
flat angles C4'-P-C4' energy: -9.186
flat angles P-C4'-P energy: -5.886
tors. eta vs tors. theta energy: -1.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -63.168389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.168389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.168389 (E_RNA)
where:
Base-Base interactions energy: -26.258
where: short stacking energy: -18.217
Base-Backbone interact. energy: -0.014
local terms energy: -36.896683
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -9.400
flat angles C4'-P-C4' energy: -7.417
flat angles P-C4'-P energy: -4.535
tors. eta vs tors. theta energy: -3.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -54.320679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.320679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.320679 (E_RNA)
where:
Base-Base interactions energy: -15.751
where: short stacking energy: -11.564
Base-Backbone interact. energy: -0.078
local terms energy: -38.491980
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -9.849
flat angles P-C4'-P energy: -5.641
tors. eta vs tors. theta energy: 0.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -57.127105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.127105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.127105 (E_RNA)
where:
Base-Base interactions energy: -19.193
where: short stacking energy: -19.193
Base-Backbone interact. energy: 1.776
local terms energy: -39.709459
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -7.824
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -0.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -71.169499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.169499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.169499 (E_RNA)
where:
Base-Base interactions energy: -33.534
where: short stacking energy: -12.958
Base-Backbone interact. energy: -0.118
local terms energy: -37.517645
where:
bonds (distance) C4'-P energy: -9.825
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -10.198
flat angles P-C4'-P energy: -2.753
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: 8
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -136.785506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.785506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.785506 (E_RNA)
where:
Base-Base interactions energy: -83.221
where: short stacking energy: -42.286
Base-Backbone interact. energy: -0.003
local terms energy: -53.561871
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -8.453
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: -14.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -100.188940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.188940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.188940 (E_RNA)
where:
Base-Base interactions energy: -54.279
where: short stacking energy: -31.929
Base-Backbone interact. energy: -0.143
local terms energy: -45.766657
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -9.922
flat angles C4'-P-C4' energy: -8.563
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -9.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -108.633858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.633858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.633858 (E_RNA)
where:
Base-Base interactions energy: -65.091
where: short stacking energy: -22.077
Base-Backbone interact. energy: 1.665
local terms energy: -45.207800
where:
bonds (distance) C4'-P energy: -9.982
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -5.262
tors. eta vs tors. theta energy: -4.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -69.675610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.675610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.675610 (E_RNA)
where:
Base-Base interactions energy: -27.227
where: short stacking energy: -26.522
Base-Backbone interact. energy: -0.001
local terms energy: -42.447365
where:
bonds (distance) C4'-P energy: -8.521
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -9.861
flat angles P-C4'-P energy: -4.257
tors. eta vs tors. theta energy: -6.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -70.455779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.455779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.455779 (E_RNA)
where:
Base-Base interactions energy: -29.219
where: short stacking energy: -25.187
Base-Backbone interact. energy: -0.050
local terms energy: -41.186641
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -10.597
flat angles C4'-P-C4' energy: -7.845
flat angles P-C4'-P energy: -5.526
tors. eta vs tors. theta energy: -6.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -73.910600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.910600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.910600 (E_RNA)
where:
Base-Base interactions energy: -33.508
where: short stacking energy: -33.508
Base-Backbone interact. energy: -0.013
local terms energy: -40.390140
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -8.647
flat angles P-C4'-P energy: -5.002
tors. eta vs tors. theta energy: -4.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -66.054200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.054200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.054200 (E_RNA)
where:
Base-Base interactions energy: -35.548
where: short stacking energy: -8.851
Base-Backbone interact. energy: -0.477
local terms energy: -30.029651
where:
bonds (distance) C4'-P energy: -5.803
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -6.963
flat angles P-C4'-P energy: -6.774
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: 8, replica: 9
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -60.280860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.280860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.280860 (E_RNA)
where:
Base-Base interactions energy: -23.279
where: short stacking energy: -22.987
Base-Backbone interact. energy: -0.002
local terms energy: -36.999991
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -9.937
flat angles C4'-P-C4' energy: -7.103
flat angles P-C4'-P energy: -3.200
tors. eta vs tors. theta energy: -4.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -66.719578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.719578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.719578 (E_RNA)
where:
Base-Base interactions energy: -31.293
where: short stacking energy: -16.022
Base-Backbone interact. energy: -0.294
local terms energy: -35.133032
where:
bonds (distance) C4'-P energy: -9.522
bonds (distance) P-C4' energy: -10.353
flat angles C4'-P-C4' energy: -8.725
flat angles P-C4'-P energy: -5.110
tors. eta vs tors. theta energy: -1.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -56.903577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.903577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.903577 (E_RNA)
where:
Base-Base interactions energy: -18.447
where: short stacking energy: -12.172
Base-Backbone interact. energy: -0.098
local terms energy: -38.357931
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -6.510
flat angles P-C4'-P energy: -2.240
tors. eta vs tors. theta energy: -6.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -131.903196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.903196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.903196 (E_RNA)
where:
Base-Base interactions energy: -80.258
where: short stacking energy: -32.669
Base-Backbone interact. energy: -0.146
local terms energy: -51.499266
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -9.588
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -4.400
tors. eta vs tors. theta energy: -14.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -108.832765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.832765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.832765 (E_RNA)
where:
Base-Base interactions energy: -65.245
where: short stacking energy: -27.997
Base-Backbone interact. energy: -0.014
local terms energy: -43.574363
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -11.261
flat angles C4'-P-C4' energy: -7.482
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -4.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -86.928882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.928882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.928882 (E_RNA)
where:
Base-Base interactions energy: -41.467
where: short stacking energy: -29.077
Base-Backbone interact. energy: -1.158
local terms energy: -44.304173
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -10.409
flat angles C4'-P-C4' energy: -9.231
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -4.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -86.910701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.910701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.910701 (E_RNA)
where:
Base-Base interactions energy: -34.818
where: short stacking energy: -34.818
Base-Backbone interact. energy: -0.005
local terms energy: -52.087335
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -12.280
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -11.694
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: 1
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -66.079268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.079268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.079268 (E_RNA)
where:
Base-Base interactions energy: -29.106
where: short stacking energy: -25.171
Base-Backbone interact. energy: -0.156
local terms energy: -36.816647
where:
bonds (distance) C4'-P energy: -7.146
bonds (distance) P-C4' energy: -9.463
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -5.165
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: 6, replica: 2
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -70.536520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.536520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.536520 (E_RNA)
where:
Base-Base interactions energy: -33.059
where: short stacking energy: -17.649
Base-Backbone interact. energy: -1.397
local terms energy: -36.080073
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -7.993
flat angles C4'-P-C4' energy: -10.171
flat angles P-C4'-P energy: -4.971
tors. eta vs tors. theta energy: -0.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -75.636009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.636009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.636009 (E_RNA)
where:
Base-Base interactions energy: -31.484
where: short stacking energy: -16.118
Base-Backbone interact. energy: -0.002
local terms energy: -44.149211
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -10.354
flat angles P-C4'-P energy: -5.594
tors. eta vs tors. theta energy: -6.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -57.382546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.382546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.382546 (E_RNA)
where:
Base-Base interactions energy: -24.195
where: short stacking energy: -15.095
Base-Backbone interact. energy: -0.080
local terms energy: -33.107140
where:
bonds (distance) C4'-P energy: -8.430
bonds (distance) P-C4' energy: -11.336
flat angles C4'-P-C4' energy: -7.059
flat angles P-C4'-P energy: -9.252
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: 9, replica: 9
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -54.785949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.785949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.785949 (E_RNA)
where:
Base-Base interactions energy: -21.994
where: short stacking energy: -21.442
Base-Backbone interact. energy: -0.044
local terms energy: -32.747747
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -10.972
flat angles C4'-P-C4' energy: -9.196
flat angles P-C4'-P energy: -3.412
tors. eta vs tors. theta energy: 1.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -51.574292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.574292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.574292 (E_RNA)
where:
Base-Base interactions energy: -16.262
where: short stacking energy: -16.262
Base-Backbone interact. energy: -0.076
local terms energy: -35.236302
where:
bonds (distance) C4'-P energy: -6.771
bonds (distance) P-C4' energy: -9.343
flat angles C4'-P-C4' energy: -9.163
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -0.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -123.154734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.154734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.154734 (E_RNA)
where:
Base-Base interactions energy: -74.150
where: short stacking energy: -32.160
Base-Backbone interact. energy: -0.059
local terms energy: -48.945924
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -11.245
flat angles P-C4'-P energy: -5.035
tors. eta vs tors. theta energy: -7.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -126.741319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.741319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.741319 (E_RNA)
where:
Base-Base interactions energy: -72.292
where: short stacking energy: -37.813
Base-Backbone interact. energy: -0.786
local terms energy: -53.663167
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -10.553
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -11.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -100.664839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.664839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.664839 (E_RNA)
where:
Base-Base interactions energy: -59.991
where: short stacking energy: -20.967
Base-Backbone interact. energy: -0.071
local terms energy: -40.602228
where:
bonds (distance) C4'-P energy: -9.653
bonds (distance) P-C4' energy: -10.750
flat angles C4'-P-C4' energy: -7.899
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -4.877
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: 198
Temperature: 1.050000
Total energy: -72.427114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.427114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.427114 (E_RNA)
where:
Base-Base interactions energy: -27.470
where: short stacking energy: -25.993
Base-Backbone interact. energy: -0.210
local terms energy: -44.747623
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -10.746
flat angles C4'-P-C4' energy: -10.411
flat angles P-C4'-P energy: -7.185
tors. eta vs tors. theta energy: -6.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -74.029754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.029754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.029754 (E_RNA)
where:
Base-Base interactions energy: -26.759
where: short stacking energy: -26.727
Base-Backbone interact. energy: -0.203
local terms energy: -47.067790
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -9.952
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -5.759
tors. eta vs tors. theta energy: -6.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -63.205437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.205437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.205437 (E_RNA)
where:
Base-Base interactions energy: -20.988
where: short stacking energy: -19.774
Base-Backbone interact. energy: -0.083
local terms energy: -42.134880
where:
bonds (distance) C4'-P energy: -10.305
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -10.837
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -1.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -58.703120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.703120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.703120 (E_RNA)
where:
Base-Base interactions energy: -21.851
where: short stacking energy: -21.190
Base-Backbone interact. energy: -0.955
local terms energy: -35.897319
where:
bonds (distance) C4'-P energy: -8.666
bonds (distance) P-C4' energy: -7.981
flat angles C4'-P-C4' energy: -9.878
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -1.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -63.357770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.357770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.357770 (E_RNA)
where:
Base-Base interactions energy: -24.303
where: short stacking energy: -23.427
Base-Backbone interact. energy: -0.155
local terms energy: -38.899375
where:
bonds (distance) C4'-P energy: -6.973
bonds (distance) P-C4' energy: -12.097
flat angles C4'-P-C4' energy: -10.789
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -2.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -55.675753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.675753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.675753 (E_RNA)
where:
Base-Base interactions energy: -20.057
where: short stacking energy: -11.583
Base-Backbone interact. energy: -0.002
local terms energy: -35.616223
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -8.541
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -2.295
tors. eta vs tors. theta energy: -2.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -52.517225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.517225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.517225 (E_RNA)
where:
Base-Base interactions energy: -18.021
where: short stacking energy: -16.275
Base-Backbone interact. energy: -0.225
local terms energy: -34.272068
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -9.581
flat angles C4'-P-C4' energy: -10.074
flat angles P-C4'-P energy: -4.249
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: 1, replica: 6
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -121.461569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.461569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.461569 (E_RNA)
where:
Base-Base interactions energy: -73.472
where: short stacking energy: -33.127
Base-Backbone interact. energy: -0.165
local terms energy: -47.824138
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -4.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -109.737088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.737088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.737088 (E_RNA)
where:
Base-Base interactions energy: -58.274
where: short stacking energy: -34.151
Base-Backbone interact. energy: -0.184
local terms energy: -51.279317
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -6.351
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -11.306
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: 3, replica: 10
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -98.571260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.571260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.571260 (E_RNA)
where:
Base-Base interactions energy: -56.655
where: short stacking energy: -29.608
Base-Backbone interact. energy: -0.006
local terms energy: -41.909871
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -8.986
flat angles C4'-P-C4' energy: -10.305
flat angles P-C4'-P energy: -4.773
tors. eta vs tors. theta energy: -7.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -74.256832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.256832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.256832 (E_RNA)
where:
Base-Base interactions energy: -35.256
where: short stacking energy: -26.017
Base-Backbone interact. energy: 0.467
local terms energy: -39.468399
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -8.455
flat angles C4'-P-C4' energy: -7.710
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -3.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -71.140151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.140151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.140151 (E_RNA)
where:
Base-Base interactions energy: -29.420
where: short stacking energy: -26.572
Base-Backbone interact. energy: -0.061
local terms energy: -41.659488
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -8.996
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -1.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -71.697971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.697971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.697971 (E_RNA)
where:
Base-Base interactions energy: -30.969
where: short stacking energy: -30.969
Base-Backbone interact. energy: 0.808
local terms energy: -41.536888
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -10.216
flat angles C4'-P-C4' energy: -8.591
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -5.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -58.548783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.548783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.548783 (E_RNA)
where:
Base-Base interactions energy: -19.788
where: short stacking energy: -11.855
Base-Backbone interact. energy: -0.095
local terms energy: -38.666306
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -9.305
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -5.908
tors. eta vs tors. theta energy: 0.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -57.539929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.539929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.539929 (E_RNA)
where:
Base-Base interactions energy: -26.332
where: short stacking energy: -22.481
Base-Backbone interact. energy: -0.016
local terms energy: -31.192882
where:
bonds (distance) C4'-P energy: -7.569
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -6.157
flat angles P-C4'-P energy: -3.646
tors. eta vs tors. theta energy: -0.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -72.603091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.603091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.603091 (E_RNA)
where:
Base-Base interactions energy: -30.485
where: short stacking energy: -24.177
Base-Backbone interact. energy: -0.151
local terms energy: -41.967054
where:
bonds (distance) C4'-P energy: -10.073
bonds (distance) P-C4' energy: -10.511
flat angles C4'-P-C4' energy: -10.152
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -4.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -55.867023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.867023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.867023 (E_RNA)
where:
Base-Base interactions energy: -24.907
where: short stacking energy: -12.087
Base-Backbone interact. energy: -0.910
local terms energy: -30.049769
where:
bonds (distance) C4'-P energy: -7.370
bonds (distance) P-C4' energy: -10.146
flat angles C4'-P-C4' energy: -9.455
flat angles P-C4'-P energy: -1.945
tors. eta vs tors. theta energy: -1.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -108.687646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.687646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.687646 (E_RNA)
where:
Base-Base interactions energy: -58.155
where: short stacking energy: -33.645
Base-Backbone interact. energy: -0.098
local terms energy: -50.434367
where:
bonds (distance) C4'-P energy: -11.145
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -8.693
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: 6
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -123.612969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.612969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.612969 (E_RNA)
where:
Base-Base interactions energy: -76.142
where: short stacking energy: -24.347
Base-Backbone interact. energy: -0.228
local terms energy: -47.242557
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -10.050
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -4.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -83.892238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.892238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.892238 (E_RNA)
where:
Base-Base interactions energy: -40.109
where: short stacking energy: -38.041
Base-Backbone interact. energy: -0.067
local terms energy: -43.715519
where:
bonds (distance) C4'-P energy: -9.308
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -8.006
flat angles P-C4'-P energy: -3.724
tors. eta vs tors. theta energy: -10.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -98.257524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.257524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.257524 (E_RNA)
where:
Base-Base interactions energy: -51.244
where: short stacking energy: -27.266
Base-Backbone interact. energy: -0.136
local terms energy: -46.877180
where:
bonds (distance) C4'-P energy: -7.160
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -8.891
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: 5, replica: 5
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -72.818113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.818113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.818113 (E_RNA)
where:
Base-Base interactions energy: -38.916
where: short stacking energy: -20.458
Base-Backbone interact. energy: 0.176
local terms energy: -34.078977
where:
bonds (distance) C4'-P energy: -9.068
bonds (distance) P-C4' energy: -9.517
flat angles C4'-P-C4' energy: -9.647
flat angles P-C4'-P energy: -4.689
tors. eta vs tors. theta energy: -1.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -76.272457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.272457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.272457 (E_RNA)
where:
Base-Base interactions energy: -30.446
where: short stacking energy: -30.446
Base-Backbone interact. energy: -0.100
local terms energy: -45.726774
where:
bonds (distance) C4'-P energy: -7.812
bonds (distance) P-C4' energy: -9.992
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -6.238
tors. eta vs tors. theta energy: -9.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -67.356641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.356641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.356641 (E_RNA)
where:
Base-Base interactions energy: -24.634
where: short stacking energy: -19.387
Base-Backbone interact. energy: -0.009
local terms energy: -42.713418
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -11.714
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: -2.431
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: 1
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -64.301317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.301317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.301317 (E_RNA)
where:
Base-Base interactions energy: -24.622
where: short stacking energy: -15.516
Base-Backbone interact. energy: -0.047
local terms energy: -39.632005
where:
bonds (distance) C4'-P energy: -8.624
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -6.346
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -6.257
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: 9
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -55.233926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.233926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.233926 (E_RNA)
where:
Base-Base interactions energy: -17.357
where: short stacking energy: -17.357
Base-Backbone interact. energy: -0.051
local terms energy: -37.826092
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -8.425
flat angles P-C4'-P energy: -0.301
tors. eta vs tors. theta energy: -6.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -56.439762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.439762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.439762 (E_RNA)
where:
Base-Base interactions energy: -21.564
where: short stacking energy: -14.135
Base-Backbone interact. energy: -0.613
local terms energy: -34.263181
where:
bonds (distance) C4'-P energy: -8.724
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -8.080
flat angles P-C4'-P energy: -4.076
tors. eta vs tors. theta energy: -0.044
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: 8
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -117.735341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.735341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.735341 (E_RNA)
where:
Base-Base interactions energy: -75.871
where: short stacking energy: -34.792
Base-Backbone interact. energy: 0.214
local terms energy: -42.078196
where:
bonds (distance) C4'-P energy: -8.343
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -10.819
flat angles P-C4'-P energy: -4.346
tors. eta vs tors. theta energy: -6.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -102.119377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.119377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.119377 (E_RNA)
where:
Base-Base interactions energy: -56.036
where: short stacking energy: -30.886
Base-Backbone interact. energy: -0.002
local terms energy: -46.082160
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -10.134
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -6.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -74.082260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.082260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.082260 (E_RNA)
where:
Base-Base interactions energy: -34.408
where: short stacking energy: -24.650
Base-Backbone interact. energy: -0.007
local terms energy: -39.667297
where:
bonds (distance) C4'-P energy: -11.268
bonds (distance) P-C4' energy: -9.684
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -0.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -100.681202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.681202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.681202 (E_RNA)
where:
Base-Base interactions energy: -59.736
where: short stacking energy: -26.216
Base-Backbone interact. energy: -0.019
local terms energy: -40.926445
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -10.166
flat angles C4'-P-C4' energy: -10.412
flat angles P-C4'-P energy: -5.429
tors. eta vs tors. theta energy: -4.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -69.124474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.124474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.124474 (E_RNA)
where:
Base-Base interactions energy: -26.990
where: short stacking energy: -25.814
Base-Backbone interact. energy: -0.073
local terms energy: -42.061404
where:
bonds (distance) C4'-P energy: -8.965
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -8.167
flat angles P-C4'-P energy: -6.958
tors. eta vs tors. theta energy: -4.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -71.945815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.945815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.945815 (E_RNA)
where:
Base-Base interactions energy: -30.349
where: short stacking energy: -21.148
Base-Backbone interact. energy: -0.654
local terms energy: -40.942667
where:
bonds (distance) C4'-P energy: -10.273
bonds (distance) P-C4' energy: -10.625
flat angles C4'-P-C4' energy: -8.574
flat angles P-C4'-P energy: -3.784
tors. eta vs tors. theta energy: -7.688
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: 4
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -61.970948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.970948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.970948 (E_RNA)
where:
Base-Base interactions energy: -26.965
where: short stacking energy: -21.409
Base-Backbone interact. energy: -0.643
local terms energy: -34.363127
where:
bonds (distance) C4'-P energy: -6.087
bonds (distance) P-C4' energy: -5.732
flat angles C4'-P-C4' energy: -9.283
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -4.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -62.397653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.397653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.397653 (E_RNA)
where:
Base-Base interactions energy: -20.855
where: short stacking energy: -14.536
Base-Backbone interact. energy: -0.088
local terms energy: -41.454819
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -7.958
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -1.522
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: 1
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -55.071630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.071630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.071630 (E_RNA)
where:
Base-Base interactions energy: -23.569
where: short stacking energy: -19.400
Base-Backbone interact. energy: -0.133
local terms energy: -31.369389
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -9.144
flat angles C4'-P-C4' energy: -9.423
flat angles P-C4'-P energy: 0.714
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: 10, replica: 7
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -52.914328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.914328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.914328 (E_RNA)
where:
Base-Base interactions energy: -24.120
where: short stacking energy: -15.418
Base-Backbone interact. energy: -0.127
local terms energy: -28.667410
where:
bonds (distance) C4'-P energy: -8.749
bonds (distance) P-C4' energy: -8.765
flat angles C4'-P-C4' energy: -9.409
flat angles P-C4'-P energy: -2.268
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: 1, replica: 6
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -106.052017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.052017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.052017 (E_RNA)
where:
Base-Base interactions energy: -58.900
where: short stacking energy: -30.176
Base-Backbone interact. energy: 0.121
local terms energy: -47.272208
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -8.430
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: 2, replica: 8
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -127.410707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.410707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.410707 (E_RNA)
where:
Base-Base interactions energy: -78.212
where: short stacking energy: -34.810
Base-Backbone interact. energy: 2.106
local terms energy: -51.304355
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -8.167
flat angles C4'-P-C4' energy: -9.834
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -11.390
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: 3, replica: 5
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -98.739474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.739474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.739474 (E_RNA)
where:
Base-Base interactions energy: -50.381
where: short stacking energy: -27.350
Base-Backbone interact. energy: -0.000
local terms energy: -48.358197
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -9.049
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -9.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -79.377967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.377967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.377967 (E_RNA)
where:
Base-Base interactions energy: -36.100
where: short stacking energy: -18.530
Base-Backbone interact. energy: -0.127
local terms energy: -43.151171
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -10.383
flat angles C4'-P-C4' energy: -9.342
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -1.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -79.197847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.197847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.197847 (E_RNA)
where:
Base-Base interactions energy: -36.855
where: short stacking energy: -23.560
Base-Backbone interact. energy: 1.656
local terms energy: -43.999813
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -10.564
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -0.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -66.130799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.130799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.130799 (E_RNA)
where:
Base-Base interactions energy: -32.660
where: short stacking energy: -20.893
Base-Backbone interact. energy: -0.092
local terms energy: -33.378494
where:
bonds (distance) C4'-P energy: -6.242
bonds (distance) P-C4' energy: -5.793
flat angles C4'-P-C4' energy: -8.381
flat angles P-C4'-P energy: -7.083
tors. eta vs tors. theta energy: -5.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -63.041726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.041726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.041726 (E_RNA)
where:
Base-Base interactions energy: -21.814
where: short stacking energy: -15.402
Base-Backbone interact. energy: -0.276
local terms energy: -40.951652
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -10.918
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -5.561
tors. eta vs tors. theta energy: -2.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -67.087525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.087525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.087525 (E_RNA)
where:
Base-Base interactions energy: -26.275
where: short stacking energy: -26.275
Base-Backbone interact. energy: -0.004
local terms energy: -40.808159
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -7.880
flat angles C4'-P-C4' energy: -7.952
flat angles P-C4'-P energy: -4.283
tors. eta vs tors. theta energy: -9.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -56.116390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.116390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.116390 (E_RNA)
where:
Base-Base interactions energy: -16.232
where: short stacking energy: -15.823
Base-Backbone interact. energy: -0.137
local terms energy: -39.747445
where:
bonds (distance) C4'-P energy: -10.718
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -9.150
flat angles P-C4'-P energy: -4.240
tors. eta vs tors. theta energy: -3.853
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: 10, replica: 1
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -51.153727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.153727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.153727 (E_RNA)
where:
Base-Base interactions energy: -21.934
where: short stacking energy: -9.806
Base-Backbone interact. energy: 0.443
local terms energy: -29.662555
where:
bonds (distance) C4'-P energy: -9.424
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -8.277
flat angles P-C4'-P energy: -1.849
tors. eta vs tors. theta energy: 1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -117.110871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.110871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.110871 (E_RNA)
where:
Base-Base interactions energy: -70.270
where: short stacking energy: -28.547
Base-Backbone interact. energy: -0.446
local terms energy: -46.394838
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -9.034
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -6.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -115.184587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.184587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.184587 (E_RNA)
where:
Base-Base interactions energy: -65.723
where: short stacking energy: -30.346
Base-Backbone interact. energy: -0.051
local terms energy: -49.411192
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -9.538
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -7.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -132.575461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.575461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.575461 (E_RNA)
where:
Base-Base interactions energy: -77.225
where: short stacking energy: -38.720
Base-Backbone interact. energy: -0.004
local terms energy: -55.347377
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -10.377
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -14.636
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: 3
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -82.613319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.613319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.613319 (E_RNA)
where:
Base-Base interactions energy: -38.452
where: short stacking energy: -11.707
Base-Backbone interact. energy: 0.694
local terms energy: -44.855591
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -0.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -66.722595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.722595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.722595 (E_RNA)
where:
Base-Base interactions energy: -25.015
where: short stacking energy: -23.423
Base-Backbone interact. energy: -2.962
local terms energy: -38.745536
where:
bonds (distance) C4'-P energy: -6.034
bonds (distance) P-C4' energy: -9.156
flat angles C4'-P-C4' energy: -8.644
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -7.429
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: 6, replica: 9
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -63.219101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.219101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.219101 (E_RNA)
where:
Base-Base interactions energy: -28.767
where: short stacking energy: -19.325
Base-Backbone interact. energy: -0.187
local terms energy: -34.264867
where:
bonds (distance) C4'-P energy: -9.895
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -7.235
flat angles P-C4'-P energy: -3.405
tors. eta vs tors. theta energy: -2.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -65.398983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.398983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.398983 (E_RNA)
where:
Base-Base interactions energy: -29.654
where: short stacking energy: -21.424
Base-Backbone interact. energy: -0.025
local terms energy: -35.720107
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -8.747
flat angles C4'-P-C4' energy: -8.917
flat angles P-C4'-P energy: -4.382
tors. eta vs tors. theta energy: -1.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -64.860080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.860080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.860080 (E_RNA)
where:
Base-Base interactions energy: -24.498
where: short stacking energy: -24.207
Base-Backbone interact. energy: -0.036
local terms energy: -40.325451
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -8.772
flat angles C4'-P-C4' energy: -7.964
flat angles P-C4'-P energy: -5.767
tors. eta vs tors. theta energy: -8.229
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: 4
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -60.557041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.557041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.557041 (E_RNA)
where:
Base-Base interactions energy: -30.425
where: short stacking energy: -20.152
Base-Backbone interact. energy: -0.328
local terms energy: -29.803652
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -8.109
flat angles C4'-P-C4' energy: -8.391
flat angles P-C4'-P energy: -1.132
tors. eta vs tors. theta energy: -0.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -73.074703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.074703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.074703 (E_RNA)
where:
Base-Base interactions energy: -39.244
where: short stacking energy: -29.183
Base-Backbone interact. energy: -0.025
local terms energy: -33.805614
where:
bonds (distance) C4'-P energy: -9.266
bonds (distance) P-C4' energy: -9.676
flat angles C4'-P-C4' energy: -8.532
flat angles P-C4'-P energy: -1.667
tors. eta vs tors. theta energy: -4.664
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: 6
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -137.252290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.252290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.252290 (E_RNA)
where:
Base-Base interactions energy: -80.871
where: short stacking energy: -44.960
Base-Backbone interact. energy: -0.004
local terms energy: -56.376505
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -11.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -118.179783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.179783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.179783 (E_RNA)
where:
Base-Base interactions energy: -69.402
where: short stacking energy: -31.706
Base-Backbone interact. energy: -0.277
local terms energy: -48.500505
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -5.053
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: 204
Temperature: 1.000000
Total energy: -109.257561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.257561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.257561 (E_RNA)
where:
Base-Base interactions energy: -66.506
where: short stacking energy: -31.803
Base-Backbone interact. energy: -1.175
local terms energy: -41.576889
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -7.913
flat angles C4'-P-C4' energy: -8.646
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -8.269
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: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -85.192586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.192586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.192586 (E_RNA)
where:
Base-Base interactions energy: -40.286
where: short stacking energy: -32.982
Base-Backbone interact. energy: -1.213
local terms energy: -43.692989
where:
bonds (distance) C4'-P energy: -8.626
bonds (distance) P-C4' energy: -9.890
flat angles C4'-P-C4' energy: -7.835
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -8.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -69.659444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.659444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.659444 (E_RNA)
where:
Base-Base interactions energy: -29.190
where: short stacking energy: -29.190
Base-Backbone interact. energy: -0.031
local terms energy: -40.437813
where:
bonds (distance) C4'-P energy: -8.580
bonds (distance) P-C4' energy: -10.762
flat angles C4'-P-C4' energy: -10.294
flat angles P-C4'-P energy: -5.455
tors. eta vs tors. theta energy: -5.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -68.628769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.628769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.628769 (E_RNA)
where:
Base-Base interactions energy: -26.963
where: short stacking energy: -22.185
Base-Backbone interact. energy: -0.010
local terms energy: -41.655548
where:
bonds (distance) C4'-P energy: -7.611
bonds (distance) P-C4' energy: -10.906
flat angles C4'-P-C4' energy: -6.852
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -8.504
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: 7, replica: 7
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -58.491819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.491819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.491819 (E_RNA)
where:
Base-Base interactions energy: -24.837
where: short stacking energy: -19.157
Base-Backbone interact. energy: -0.061
local terms energy: -33.593767
where:
bonds (distance) C4'-P energy: -10.186
bonds (distance) P-C4' energy: -5.574
flat angles C4'-P-C4' energy: -10.127
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: 0.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -57.836352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.836352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.836352 (E_RNA)
where:
Base-Base interactions energy: -17.374
where: short stacking energy: -17.374
Base-Backbone interact. energy: -0.079
local terms energy: -40.383226
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -11.572
flat angles C4'-P-C4' energy: -10.870
flat angles P-C4'-P energy: -2.285
tors. eta vs tors. theta energy: -4.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -55.732135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.732135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.732135 (E_RNA)
where:
Base-Base interactions energy: -23.582
where: short stacking energy: -18.542
Base-Backbone interact. energy: -0.125
local terms energy: -32.024803
where:
bonds (distance) C4'-P energy: -9.470
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -10.785
flat angles P-C4'-P energy: -0.445
tors. eta vs tors. theta energy: 0.365
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: 4
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -51.140859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.140859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.140859 (E_RNA)
where:
Base-Base interactions energy: -17.012
where: short stacking energy: -10.152
Base-Backbone interact. energy: -0.269
local terms energy: -33.860068
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -11.035
flat angles C4'-P-C4' energy: -6.968
flat angles P-C4'-P energy: -3.960
tors. eta vs tors. theta energy: -0.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -128.951686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.951686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.951686 (E_RNA)
where:
Base-Base interactions energy: -75.757
where: short stacking energy: -28.814
Base-Backbone interact. energy: -1.670
local terms energy: -51.524883
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -10.865
flat angles C4'-P-C4' energy: -9.782
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -11.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -109.538699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.538699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.538699 (E_RNA)
where:
Base-Base interactions energy: -63.866
where: short stacking energy: -27.738
Base-Backbone interact. energy: -0.503
local terms energy: -45.169512
where:
bonds (distance) C4'-P energy: -7.942
bonds (distance) P-C4' energy: -11.094
flat angles C4'-P-C4' energy: -11.089
flat angles P-C4'-P energy: -8.874
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: 3, replica: 5
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -111.919725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.919725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.919725 (E_RNA)
where:
Base-Base interactions energy: -61.413
where: short stacking energy: -37.268
Base-Backbone interact. energy: -0.104
local terms energy: -50.402705
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -10.287
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -7.916
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: 4, replica: 9
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -96.495937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.495937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.495937 (E_RNA)
where:
Base-Base interactions energy: -44.217
where: short stacking energy: -38.702
Base-Backbone interact. energy: -0.872
local terms energy: -51.407296
where:
bonds (distance) C4'-P energy: -9.767
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -9.163
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -12.612
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: 5, replica: 3
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -98.435163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.435163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.435163 (E_RNA)
where:
Base-Base interactions energy: -52.376
where: short stacking energy: -27.930
Base-Backbone interact. energy: -0.081
local terms energy: -45.977841
where:
bonds (distance) C4'-P energy: -9.924
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -10.425
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -4.437
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: 7
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -64.477198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.477198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.477198 (E_RNA)
where:
Base-Base interactions energy: -28.529
where: short stacking energy: -28.529
Base-Backbone interact. energy: -0.092
local terms energy: -35.856198
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -6.639
flat angles C4'-P-C4' energy: -9.452
flat angles P-C4'-P energy: -4.465
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: 7, replica: 2
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -66.503319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.503319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.503319 (E_RNA)
where:
Base-Base interactions energy: -24.886
where: short stacking energy: -24.886
Base-Backbone interact. energy: -0.073
local terms energy: -41.544838
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -10.691
flat angles C4'-P-C4' energy: -10.247
flat angles P-C4'-P energy: -5.894
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: 8, replica: 1
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -55.553618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.553618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.553618 (E_RNA)
where:
Base-Base interactions energy: -13.979
where: short stacking energy: -12.023
Base-Backbone interact. energy: -0.096
local terms energy: -41.478792
where:
bonds (distance) C4'-P energy: -11.120
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -9.454
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: -2.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -76.810293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.810293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.810293 (E_RNA)
where:
Base-Base interactions energy: -32.846
where: short stacking energy: -25.350
Base-Backbone interact. energy: -0.017
local terms energy: -43.946863
where:
bonds (distance) C4'-P energy: -6.990
bonds (distance) P-C4' energy: -11.501
flat angles C4'-P-C4' energy: -7.572
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -8.227
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: 4
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -61.376719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.376719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.376719 (E_RNA)
where:
Base-Base interactions energy: -20.501
where: short stacking energy: -14.936
Base-Backbone interact. energy: -0.141
local terms energy: -40.734844
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -9.436
flat angles C4'-P-C4' energy: -9.295
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -0.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -131.203719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.203719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.203719 (E_RNA)
where:
Base-Base interactions energy: -78.762
where: short stacking energy: -38.692
Base-Backbone interact. energy: -0.007
local terms energy: -52.434865
where:
bonds (distance) C4'-P energy: -10.086
bonds (distance) P-C4' energy: -10.180
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -10.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -111.136517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.136517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.136517 (E_RNA)
where:
Base-Base interactions energy: -57.502
where: short stacking energy: -38.846
Base-Backbone interact. energy: -0.020
local terms energy: -53.614208
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -9.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -90.389865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.389865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.389865 (E_RNA)
where:
Base-Base interactions energy: -49.096
where: short stacking energy: -22.396
Base-Backbone interact. energy: -0.131
local terms energy: -41.163546
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -10.622
flat angles C4'-P-C4' energy: -11.208
flat angles P-C4'-P energy: -2.595
tors. eta vs tors. theta energy: -5.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -97.188215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.188215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.188215 (E_RNA)
where:
Base-Base interactions energy: -64.189
where: short stacking energy: -16.831
Base-Backbone interact. energy: 0.549
local terms energy: -33.547710
where:
bonds (distance) C4'-P energy: -9.598
bonds (distance) P-C4' energy: -10.815
flat angles C4'-P-C4' energy: -9.821
flat angles P-C4'-P energy: -5.260
tors. eta vs tors. theta energy: 1.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -74.599980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.599980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.599980 (E_RNA)
where:
Base-Base interactions energy: -32.405
where: short stacking energy: -25.399
Base-Backbone interact. energy: -0.093
local terms energy: -42.101621
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -9.870
flat angles P-C4'-P energy: -5.569
tors. eta vs tors. theta energy: -3.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -67.598790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.598790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.598790 (E_RNA)
where:
Base-Base interactions energy: -25.951
where: short stacking energy: -21.512
Base-Backbone interact. energy: -0.048
local terms energy: -41.600085
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -6.171
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -5.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -65.096100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.096100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.096100 (E_RNA)
where:
Base-Base interactions energy: -28.319
where: short stacking energy: -19.238
Base-Backbone interact. energy: -0.571
local terms energy: -36.205923
where:
bonds (distance) C4'-P energy: -10.052
bonds (distance) P-C4' energy: -9.176
flat angles C4'-P-C4' energy: -9.795
flat angles P-C4'-P energy: -5.688
tors. eta vs tors. theta energy: -1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -63.124278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.124278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.124278 (E_RNA)
where:
Base-Base interactions energy: -22.067
where: short stacking energy: -20.222
Base-Backbone interact. energy: -0.072
local terms energy: -40.985731
where:
bonds (distance) C4'-P energy: -10.044
bonds (distance) P-C4' energy: -8.184
flat angles C4'-P-C4' energy: -11.110
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -5.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -57.747435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.747435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.747435 (E_RNA)
where:
Base-Base interactions energy: -21.083
where: short stacking energy: -18.279
Base-Backbone interact. energy: -0.125
local terms energy: -36.539099
where:
bonds (distance) C4'-P energy: -5.561
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -10.378
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -1.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -61.007515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.007515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.007515 (E_RNA)
where:
Base-Base interactions energy: -18.256
where: short stacking energy: -12.522
Base-Backbone interact. energy: -0.118
local terms energy: -42.633482
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: 0.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -130.291500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.291500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.291500 (E_RNA)
where:
Base-Base interactions energy: -79.746
where: short stacking energy: -37.656
Base-Backbone interact. energy: -0.017
local terms energy: -50.528411
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -10.986
flat angles C4'-P-C4' energy: -11.054
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -7.656
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: 2, replica: 8
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -111.833802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.833802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.833802 (E_RNA)
where:
Base-Base interactions energy: -61.848
where: short stacking energy: -46.655
Base-Backbone interact. energy: 0.194
local terms energy: -50.180396
where:
bonds (distance) C4'-P energy: -8.480
bonds (distance) P-C4' energy: -10.714
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -11.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -81.485480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.485480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.485480 (E_RNA)
where:
Base-Base interactions energy: -32.734
where: short stacking energy: -17.470
Base-Backbone interact. energy: -0.484
local terms energy: -48.267186
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -10.436
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -2.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -79.716436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.716436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.716436 (E_RNA)
where:
Base-Base interactions energy: -44.508
where: short stacking energy: -19.302
Base-Backbone interact. energy: -1.392
local terms energy: -33.816625
where:
bonds (distance) C4'-P energy: -8.848
bonds (distance) P-C4' energy: -11.522
flat angles C4'-P-C4' energy: -10.136
flat angles P-C4'-P energy: -4.485
tors. eta vs tors. theta energy: 1.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -88.075299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.075299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.075299 (E_RNA)
where:
Base-Base interactions energy: -47.715
where: short stacking energy: -22.971
Base-Backbone interact. energy: -0.445
local terms energy: -39.914995
where:
bonds (distance) C4'-P energy: -5.867
bonds (distance) P-C4' energy: -9.034
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -3.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -65.005185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.005185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.005185 (E_RNA)
where:
Base-Base interactions energy: -37.356
where: short stacking energy: -16.650
Base-Backbone interact. energy: -0.058
local terms energy: -27.591072
where:
bonds (distance) C4'-P energy: -8.215
bonds (distance) P-C4' energy: -5.487
flat angles C4'-P-C4' energy: -8.510
flat angles P-C4'-P energy: -2.983
tors. eta vs tors. theta energy: -2.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -64.134796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.134796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.134796 (E_RNA)
where:
Base-Base interactions energy: -21.770
where: short stacking energy: -18.344
Base-Backbone interact. energy: -0.005
local terms energy: -42.360555
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -7.880
flat angles P-C4'-P energy: -5.148
tors. eta vs tors. theta energy: -5.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -62.201684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.201684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.201684 (E_RNA)
where:
Base-Base interactions energy: -20.870
where: short stacking energy: -20.870
Base-Backbone interact. energy: -0.011
local terms energy: -41.321211
where:
bonds (distance) C4'-P energy: -8.772
bonds (distance) P-C4' energy: -11.085
flat angles C4'-P-C4' energy: -9.586
flat angles P-C4'-P energy: -5.366
tors. eta vs tors. theta energy: -6.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -55.461867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.461867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.461867 (E_RNA)
where:
Base-Base interactions energy: -20.650
where: short stacking energy: -20.650
Base-Backbone interact. energy: -0.075
local terms energy: -34.736858
where:
bonds (distance) C4'-P energy: -8.914
bonds (distance) P-C4' energy: -9.283
flat angles C4'-P-C4' energy: -10.090
flat angles P-C4'-P energy: -2.270
tors. eta vs tors. theta energy: -4.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -54.433952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.433952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.433952 (E_RNA)
where:
Base-Base interactions energy: -22.474
where: short stacking energy: -16.059
Base-Backbone interact. energy: -0.110
local terms energy: -31.849935
where:
bonds (distance) C4'-P energy: -6.401
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -9.242
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: 2.582
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: 6
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -123.179725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.179725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.179725 (E_RNA)
where:
Base-Base interactions energy: -72.502
where: short stacking energy: -32.159
Base-Backbone interact. energy: -0.859
local terms energy: -49.818422
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -7.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -116.955253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.955253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.955253 (E_RNA)
where:
Base-Base interactions energy: -70.527
where: short stacking energy: -35.117
Base-Backbone interact. energy: -0.317
local terms energy: -46.110841
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -10.559
flat angles C4'-P-C4' energy: -10.236
flat angles P-C4'-P energy: -5.280
tors. eta vs tors. theta energy: -9.267
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: 3
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -78.321129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.321129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.321129 (E_RNA)
where:
Base-Base interactions energy: -36.040
where: short stacking energy: -25.857
Base-Backbone interact. energy: -0.020
local terms energy: -42.260708
where:
bonds (distance) C4'-P energy: -10.516
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -9.042
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -3.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -90.995846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.995846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.995846 (E_RNA)
where:
Base-Base interactions energy: -47.747
where: short stacking energy: -17.863
Base-Backbone interact. energy: -0.002
local terms energy: -43.247633
where:
bonds (distance) C4'-P energy: -10.951
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -10.705
flat angles P-C4'-P energy: -5.712
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: 5, replica: 1
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -78.153742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.153742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.153742 (E_RNA)
where:
Base-Base interactions energy: -37.159
where: short stacking energy: -20.564
Base-Backbone interact. energy: -0.065
local terms energy: -40.930248
where:
bonds (distance) C4'-P energy: -7.195
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -5.395
tors. eta vs tors. theta energy: -5.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -72.005706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.005706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.005706 (E_RNA)
where:
Base-Base interactions energy: -42.696
where: short stacking energy: -11.622
Base-Backbone interact. energy: -0.137
local terms energy: -29.172324
where:
bonds (distance) C4'-P energy: -9.478
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -4.107
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: 2.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -58.638052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.638052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.638052 (E_RNA)
where:
Base-Base interactions energy: -20.034
where: short stacking energy: -14.176
Base-Backbone interact. energy: -0.017
local terms energy: -38.586864
where:
bonds (distance) C4'-P energy: -7.987
bonds (distance) P-C4' energy: -9.584
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -6.501
tors. eta vs tors. theta energy: -1.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -59.685023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.685023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.685023 (E_RNA)
where:
Base-Base interactions energy: -20.668
where: short stacking energy: -19.867
Base-Backbone interact. energy: -0.100
local terms energy: -38.916930
where:
bonds (distance) C4'-P energy: -7.896
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -5.034
tors. eta vs tors. theta energy: -1.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -65.311136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.311136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.311136 (E_RNA)
where:
Base-Base interactions energy: -24.271
where: short stacking energy: -10.912
Base-Backbone interact. energy: -0.700
local terms energy: -40.339898
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -7.983
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -1.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -52.789906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.789906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.789906 (E_RNA)
where:
Base-Base interactions energy: -19.815
where: short stacking energy: -18.341
Base-Backbone interact. energy: -0.140
local terms energy: -32.834107
where:
bonds (distance) C4'-P energy: -8.580
bonds (distance) P-C4' energy: -9.380
flat angles C4'-P-C4' energy: -9.336
flat angles P-C4'-P energy: -4.179
tors. eta vs tors. theta energy: -1.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -130.700512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.700512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.700512 (E_RNA)
where:
Base-Base interactions energy: -76.690
where: short stacking energy: -44.261
Base-Backbone interact. energy: -0.000
local terms energy: -54.010119
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -9.056
flat angles C4'-P-C4' energy: -10.168
flat angles P-C4'-P energy: -8.254
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: 2, replica: 8
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -113.811512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.811512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.811512 (E_RNA)
where:
Base-Base interactions energy: -67.924
where: short stacking energy: -30.317
Base-Backbone interact. energy: 1.445
local terms energy: -47.331930
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -9.670
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -5.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -74.649273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.649273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.649273 (E_RNA)
where:
Base-Base interactions energy: -33.353
where: short stacking energy: -18.450
Base-Backbone interact. energy: -1.137
local terms energy: -40.159275
where:
bonds (distance) C4'-P energy: -10.586
bonds (distance) P-C4' energy: -10.564
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -7.967
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: 4, replica: 1
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -101.761695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.761695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.761695 (E_RNA)
where:
Base-Base interactions energy: -66.388
where: short stacking energy: -21.654
Base-Backbone interact. energy: 0.213
local terms energy: -35.586640
where:
bonds (distance) C4'-P energy: -6.017
bonds (distance) P-C4' energy: -8.778
flat angles C4'-P-C4' energy: -11.854
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -0.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -71.535435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.535435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.535435 (E_RNA)
where:
Base-Base interactions energy: -25.414
where: short stacking energy: -22.053
Base-Backbone interact. energy: -0.077
local terms energy: -46.044695
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -9.547
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -72.651554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.651554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.651554 (E_RNA)
where:
Base-Base interactions energy: -24.398
where: short stacking energy: -14.658
Base-Backbone interact. energy: -0.014
local terms energy: -48.239253
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -4.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -68.105496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.105496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.105496 (E_RNA)
where:
Base-Base interactions energy: -28.932
where: short stacking energy: -16.528
Base-Backbone interact. energy: 1.227
local terms energy: -40.400194
where:
bonds (distance) C4'-P energy: -8.339
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -7.832
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: 8, replica: 4
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -57.408890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.408890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.408890 (E_RNA)
where:
Base-Base interactions energy: -14.774
where: short stacking energy: -14.084
Base-Backbone interact. energy: -0.108
local terms energy: -42.526526
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -11.106
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -0.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -59.985563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.985563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.985563 (E_RNA)
where:
Base-Base interactions energy: -28.014
where: short stacking energy: -14.660
Base-Backbone interact. energy: -0.384
local terms energy: -31.587963
where:
bonds (distance) C4'-P energy: -6.096
bonds (distance) P-C4' energy: -9.256
flat angles C4'-P-C4' energy: -9.766
flat angles P-C4'-P energy: -6.352
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: 2
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -52.011829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.011829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.011829 (E_RNA)
where:
Base-Base interactions energy: -17.469
where: short stacking energy: -13.451
Base-Backbone interact. energy: 0.024
local terms energy: -34.566925
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -9.735
flat angles C4'-P-C4' energy: -6.443
flat angles P-C4'-P energy: -4.611
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: 1, replica: 6
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -123.891209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.891209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.891209 (E_RNA)
where:
Base-Base interactions energy: -71.476
where: short stacking energy: -39.672
Base-Backbone interact. energy: -0.000
local terms energy: -52.415017
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -7.477
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: 2, replica: 8
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -113.957723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.957723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.957723 (E_RNA)
where:
Base-Base interactions energy: -62.700
where: short stacking energy: -41.201
Base-Backbone interact. energy: -0.160
local terms energy: -51.097452
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -10.172
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -10.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -113.541932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.541932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.541932 (E_RNA)
where:
Base-Base interactions energy: -69.472
where: short stacking energy: -30.337
Base-Backbone interact. energy: -0.053
local terms energy: -44.017229
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -10.260
flat angles C4'-P-C4' energy: -6.603
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -7.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -71.189111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.189111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.189111 (E_RNA)
where:
Base-Base interactions energy: -28.034
where: short stacking energy: -28.034
Base-Backbone interact. energy: -0.096
local terms energy: -43.058530
where:
bonds (distance) C4'-P energy: -9.076
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -3.820
tors. eta vs tors. theta energy: -6.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -71.916820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.916820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.916820 (E_RNA)
where:
Base-Base interactions energy: -25.379
where: short stacking energy: -25.379
Base-Backbone interact. energy: -0.023
local terms energy: -46.515275
where:
bonds (distance) C4'-P energy: -8.236
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -6.055
tors. eta vs tors. theta energy: -8.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -62.406851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.406851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.406851 (E_RNA)
where:
Base-Base interactions energy: -25.575
where: short stacking energy: -18.738
Base-Backbone interact. energy: -0.121
local terms energy: -36.711148
where:
bonds (distance) C4'-P energy: -6.097
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -7.285
tors. eta vs tors. theta energy: -1.074
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: 7, replica: 4
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -61.298626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.298626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.298626 (E_RNA)
where:
Base-Base interactions energy: -25.833
where: short stacking energy: -16.107
Base-Backbone interact. energy: -0.220
local terms energy: -35.245422
where:
bonds (distance) C4'-P energy: -8.542
bonds (distance) P-C4' energy: -10.712
flat angles C4'-P-C4' energy: -8.763
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: 0.298
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: 8, replica: 5
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -58.923373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.923373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.923373 (E_RNA)
where:
Base-Base interactions energy: -24.851
where: short stacking energy: -20.057
Base-Backbone interact. energy: -0.048
local terms energy: -34.024103
where:
bonds (distance) C4'-P energy: -11.145
bonds (distance) P-C4' energy: -10.218
flat angles C4'-P-C4' energy: -7.660
flat angles P-C4'-P energy: -3.579
tors. eta vs tors. theta energy: -1.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -60.631250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.631250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.631250 (E_RNA)
where:
Base-Base interactions energy: -14.931
where: short stacking energy: -13.281
Base-Backbone interact. energy: -0.071
local terms energy: -45.629095
where:
bonds (distance) C4'-P energy: -11.034
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -2.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -58.179868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.179868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.179868 (E_RNA)
where:
Base-Base interactions energy: -21.086
where: short stacking energy: -21.086
Base-Backbone interact. energy: -0.123
local terms energy: -36.971104
where:
bonds (distance) C4'-P energy: -6.583
bonds (distance) P-C4' energy: -9.499
flat angles C4'-P-C4' energy: -7.048
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -5.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -115.688445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.688445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.688445 (E_RNA)
where:
Base-Base interactions energy: -66.395
where: short stacking energy: -32.041
Base-Backbone interact. energy: -0.087
local terms energy: -49.207040
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -10.251
flat angles P-C4'-P energy: -6.523
tors. eta vs tors. theta energy: -7.935
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: 1
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -117.550690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.550690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.550690 (E_RNA)
where:
Base-Base interactions energy: -62.188
where: short stacking energy: -35.238
Base-Backbone interact. energy: -0.000
local terms energy: -55.362678
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -11.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -95.243696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.243696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.243696 (E_RNA)
where:
Base-Base interactions energy: -47.184
where: short stacking energy: -30.299
Base-Backbone interact. energy: -0.126
local terms energy: -47.934434
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -5.559
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: 211
Temperature: 1.050000
Total energy: -76.011468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.011468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.011468 (E_RNA)
where:
Base-Base interactions energy: -32.147
where: short stacking energy: -22.960
Base-Backbone interact. energy: -0.013
local terms energy: -43.851482
where:
bonds (distance) C4'-P energy: -8.148
bonds (distance) P-C4' energy: -10.584
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -7.015
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: 5, replica: 3
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -90.018352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.018352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.018352 (E_RNA)
where:
Base-Base interactions energy: -45.573
where: short stacking energy: -36.569
Base-Backbone interact. energy: -0.051
local terms energy: -44.393517
where:
bonds (distance) C4'-P energy: -9.174
bonds (distance) P-C4' energy: -10.133
flat angles C4'-P-C4' energy: -8.522
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: -9.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -75.817299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.817299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.817299 (E_RNA)
where:
Base-Base interactions energy: -36.535
where: short stacking energy: -25.365
Base-Backbone interact. energy: -0.178
local terms energy: -39.104372
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -10.009
flat angles P-C4'-P energy: -3.675
tors. eta vs tors. theta energy: -2.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -75.380070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.380070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.380070 (E_RNA)
where:
Base-Base interactions energy: -42.116
where: short stacking energy: -22.609
Base-Backbone interact. energy: 1.372
local terms energy: -34.635497
where:
bonds (distance) C4'-P energy: -6.740
bonds (distance) P-C4' energy: -11.164
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: 0.445
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: 2
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -59.099288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.099288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.099288 (E_RNA)
where:
Base-Base interactions energy: -20.604
where: short stacking energy: -18.759
Base-Backbone interact. energy: -0.036
local terms energy: -38.459360
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -6.790
flat angles P-C4'-P energy: -4.669
tors. eta vs tors. theta energy: -3.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -67.985812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.985812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.985812 (E_RNA)
where:
Base-Base interactions energy: -25.726
where: short stacking energy: -22.205
Base-Backbone interact. energy: -0.065
local terms energy: -42.195243
where:
bonds (distance) C4'-P energy: -9.570
bonds (distance) P-C4' energy: -11.176
flat angles C4'-P-C4' energy: -9.624
flat angles P-C4'-P energy: -8.357
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: 10, replica: 7
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -45.784805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.784805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.784805 (E_RNA)
where:
Base-Base interactions energy: -13.579
where: short stacking energy: -13.099
Base-Backbone interact. energy: -0.227
local terms energy: -31.978488
where:
bonds (distance) C4'-P energy: -7.338
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -9.817
flat angles P-C4'-P energy: -1.671
tors. eta vs tors. theta energy: -0.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -126.928515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.928515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.928515 (E_RNA)
where:
Base-Base interactions energy: -71.618
where: short stacking energy: -42.488
Base-Backbone interact. energy: -0.663
local terms energy: -54.647068
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -11.698
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: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -114.506736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.506736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.506736 (E_RNA)
where:
Base-Base interactions energy: -67.013
where: short stacking energy: -31.095
Base-Backbone interact. energy: -0.041
local terms energy: -47.452497
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -10.333
flat angles P-C4'-P energy: -6.517
tors. eta vs tors. theta energy: -6.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -90.640786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.640786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.640786 (E_RNA)
where:
Base-Base interactions energy: -47.216
where: short stacking energy: -31.233
Base-Backbone interact. energy: 0.922
local terms energy: -44.347358
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -9.094
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -5.024
tors. eta vs tors. theta energy: -6.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -98.133573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.133573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.133573 (E_RNA)
where:
Base-Base interactions energy: -45.314
where: short stacking energy: -19.750
Base-Backbone interact. energy: -0.307
local terms energy: -52.512111
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -5.774
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: 4
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -82.767767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.767767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.767767 (E_RNA)
where:
Base-Base interactions energy: -38.016
where: short stacking energy: -28.617
Base-Backbone interact. energy: -0.019
local terms energy: -44.732571
where:
bonds (distance) C4'-P energy: -10.835
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -9.096
flat angles P-C4'-P energy: -5.314
tors. eta vs tors. theta energy: -7.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -70.268512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.268512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.268512 (E_RNA)
where:
Base-Base interactions energy: -27.669
where: short stacking energy: -21.103
Base-Backbone interact. energy: -0.105
local terms energy: -42.494627
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -10.588
flat angles C4'-P-C4' energy: -6.548
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: -6.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -71.213351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.213351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.213351 (E_RNA)
where:
Base-Base interactions energy: -33.527
where: short stacking energy: -24.627
Base-Backbone interact. energy: -0.279
local terms energy: -37.408031
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -9.445
flat angles C4'-P-C4' energy: -9.985
flat angles P-C4'-P energy: -2.464
tors. eta vs tors. theta energy: -4.298
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: 8, replica: 9
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -62.890686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.890686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.890686 (E_RNA)
where:
Base-Base interactions energy: -19.768
where: short stacking energy: -19.015
Base-Backbone interact. energy: -0.102
local terms energy: -43.021348
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -10.778
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -4.993
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: 5
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -57.222045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.222045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.222045 (E_RNA)
where:
Base-Base interactions energy: -18.209
where: short stacking energy: -15.341
Base-Backbone interact. energy: -0.075
local terms energy: -38.938322
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -7.900
flat angles P-C4'-P energy: -6.881
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: 10, replica: 7
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -60.662758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.662758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.662758 (E_RNA)
where:
Base-Base interactions energy: -27.197
where: short stacking energy: -24.176
Base-Backbone interact. energy: -0.038
local terms energy: -33.427722
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -5.403
flat angles P-C4'-P energy: -4.519
tors. eta vs tors. theta energy: -2.785
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: 1, replica: 6
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -127.607549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.607549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.607549 (E_RNA)
where:
Base-Base interactions energy: -71.219
where: short stacking energy: -44.947
Base-Backbone interact. energy: -0.025
local terms energy: -56.363555
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -10.816
flat angles C4'-P-C4' energy: -10.429
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -15.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -115.718139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.718139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.718139 (E_RNA)
where:
Base-Base interactions energy: -62.298
where: short stacking energy: -32.114
Base-Backbone interact. energy: -0.919
local terms energy: -52.500753
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -13.516
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -5.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -84.822872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.822872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.822872 (E_RNA)
where:
Base-Base interactions energy: -41.205
where: short stacking energy: -26.641
Base-Backbone interact. energy: -0.231
local terms energy: -43.386784
where:
bonds (distance) C4'-P energy: -10.124
bonds (distance) P-C4' energy: -10.146
flat angles C4'-P-C4' energy: -10.674
flat angles P-C4'-P energy: -5.011
tors. eta vs tors. theta energy: -7.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -113.797205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.797205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.797205 (E_RNA)
where:
Base-Base interactions energy: -66.989
where: short stacking energy: -38.193
Base-Backbone interact. energy: -0.066
local terms energy: -46.742755
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -11.013
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -2.613
tors. eta vs tors. theta energy: -9.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -76.775110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.775110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.775110 (E_RNA)
where:
Base-Base interactions energy: -37.111
where: short stacking energy: -18.448
Base-Backbone interact. energy: -0.339
local terms energy: -39.325925
where:
bonds (distance) C4'-P energy: -10.301
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -9.600
flat angles P-C4'-P energy: -7.398
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: 6, replica: 2
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -83.459841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.459841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.459841 (E_RNA)
where:
Base-Base interactions energy: -39.848
where: short stacking energy: -29.959
Base-Backbone interact. energy: -0.175
local terms energy: -43.436430
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -10.362
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -5.547
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: 7, replica: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -63.443709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.443709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.443709 (E_RNA)
where:
Base-Base interactions energy: -24.047
where: short stacking energy: -14.752
Base-Backbone interact. energy: 0.686
local terms energy: -40.082890
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -9.368
flat angles C4'-P-C4' energy: -9.794
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: 0.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -56.158477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.158477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.158477 (E_RNA)
where:
Base-Base interactions energy: -20.893
where: short stacking energy: -13.673
Base-Backbone interact. energy: -0.247
local terms energy: -35.019056
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -3.937
tors. eta vs tors. theta energy: 3.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -50.011199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.011199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.011199 (E_RNA)
where:
Base-Base interactions energy: -13.521
where: short stacking energy: -11.856
Base-Backbone interact. energy: 0.094
local terms energy: -36.583489
where:
bonds (distance) C4'-P energy: -8.045
bonds (distance) P-C4' energy: -9.700
flat angles C4'-P-C4' energy: -9.922
flat angles P-C4'-P energy: -5.988
tors. eta vs tors. theta energy: -2.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -52.102762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.102762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.102762 (E_RNA)
where:
Base-Base interactions energy: -18.816
where: short stacking energy: -17.461
Base-Backbone interact. energy: -0.112
local terms energy: -33.174339
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -8.126
flat angles C4'-P-C4' energy: -6.638
flat angles P-C4'-P energy: -6.244
tors. eta vs tors. theta energy: 0.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -130.666123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.666123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.666123 (E_RNA)
where:
Base-Base interactions energy: -78.040
where: short stacking energy: -45.840
Base-Backbone interact. energy: -0.059
local terms energy: -52.567054
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -9.872
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: -14.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -101.955483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.955483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.955483 (E_RNA)
where:
Base-Base interactions energy: -55.721
where: short stacking energy: -33.030
Base-Backbone interact. energy: -0.013
local terms energy: -46.221217
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -1.459
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: 3, replica: 8
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -100.874807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.874807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.874807 (E_RNA)
where:
Base-Base interactions energy: -59.094
where: short stacking energy: -35.863
Base-Backbone interact. energy: -0.241
local terms energy: -41.539439
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -7.447
flat angles C4'-P-C4' energy: -9.446
flat angles P-C4'-P energy: -8.098
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: 4, replica: 10
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -81.256147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.256147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.256147 (E_RNA)
where:
Base-Base interactions energy: -38.946
where: short stacking energy: -20.616
Base-Backbone interact. energy: -0.458
local terms energy: -41.851759
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -11.557
flat angles C4'-P-C4' energy: -10.730
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: -2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -77.455977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.455977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.455977 (E_RNA)
where:
Base-Base interactions energy: -32.679
where: short stacking energy: -32.158
Base-Backbone interact. energy: -0.016
local terms energy: -44.760510
where:
bonds (distance) C4'-P energy: -10.814
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -4.696
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -9.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -69.281244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.281244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.281244 (E_RNA)
where:
Base-Base interactions energy: -35.025
where: short stacking energy: -21.964
Base-Backbone interact. energy: -0.106
local terms energy: -34.150550
where:
bonds (distance) C4'-P energy: -7.932
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: 1.235
tors. eta vs tors. theta energy: -2.111
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: 7, replica: 3
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -63.579473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.579473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.579473 (E_RNA)
where:
Base-Base interactions energy: -26.055
where: short stacking energy: -15.256
Base-Backbone interact. energy: 0.475
local terms energy: -38.000113
where:
bonds (distance) C4'-P energy: -8.696
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -3.961
tors. eta vs tors. theta energy: -0.547
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: 5
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -62.153636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.153636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.153636 (E_RNA)
where:
Base-Base interactions energy: -26.448
where: short stacking energy: -25.228
Base-Backbone interact. energy: -0.041
local terms energy: -35.663716
where:
bonds (distance) C4'-P energy: -8.508
bonds (distance) P-C4' energy: -10.925
flat angles C4'-P-C4' energy: -7.504
flat angles P-C4'-P energy: -4.944
tors. eta vs tors. theta energy: -3.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -56.251565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.251565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.251565 (E_RNA)
where:
Base-Base interactions energy: -21.866
where: short stacking energy: -16.505
Base-Backbone interact. energy: -0.043
local terms energy: -34.341912
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -8.037
flat angles P-C4'-P energy: -3.362
tors. eta vs tors. theta energy: -1.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -65.561941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.561941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.561941 (E_RNA)
where:
Base-Base interactions energy: -24.689
where: short stacking energy: -19.073
Base-Backbone interact. energy: -0.018
local terms energy: -40.855264
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -8.922
flat angles C4'-P-C4' energy: -11.308
flat angles P-C4'-P energy: -4.224
tors. eta vs tors. theta energy: -5.441
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: 6
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -135.757291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.757291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.757291 (E_RNA)
where:
Base-Base interactions energy: -87.011
where: short stacking energy: -37.337
Base-Backbone interact. energy: -0.003
local terms energy: -48.743314
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -10.943
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -3.135
tors. eta vs tors. theta energy: -10.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -84.489369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.489369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.489369 (E_RNA)
where:
Base-Base interactions energy: -36.037
where: short stacking energy: -26.223
Base-Backbone interact. energy: -0.041
local terms energy: -48.411305
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -8.851
flat angles P-C4'-P energy: -5.300
tors. eta vs tors. theta energy: -7.932
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: 3, replica: 1
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -91.242598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.242598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.242598 (E_RNA)
where:
Base-Base interactions energy: -45.503
where: short stacking energy: -33.314
Base-Backbone interact. energy: 0.415
local terms energy: -46.154430
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -6.607
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: 4, replica: 2
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -71.056363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.056363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.056363 (E_RNA)
where:
Base-Base interactions energy: -22.833
where: short stacking energy: -22.534
Base-Backbone interact. energy: -0.093
local terms energy: -48.131255
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -10.535
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -5.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -68.776652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.776652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.776652 (E_RNA)
where:
Base-Base interactions energy: -27.036
where: short stacking energy: -17.268
Base-Backbone interact. energy: -0.289
local terms energy: -41.451906
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -10.345
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: 0.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -67.374566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.374566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.374566 (E_RNA)
where:
Base-Base interactions energy: -20.407
where: short stacking energy: -20.707
Base-Backbone interact. energy: -0.088
local terms energy: -46.880103
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -4.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -61.811496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.811496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.811496 (E_RNA)
where:
Base-Base interactions energy: -33.577
where: short stacking energy: -8.106
Base-Backbone interact. energy: -0.136
local terms energy: -28.098570
where:
bonds (distance) C4'-P energy: -2.636
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -6.942
flat angles P-C4'-P energy: -7.958
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: 8, replica: 7
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -69.630593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.630593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.630593 (E_RNA)
where:
Base-Base interactions energy: -23.902
where: short stacking energy: -23.902
Base-Backbone interact. energy: -0.043
local terms energy: -45.685380
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -4.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -56.139592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.139592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.139592 (E_RNA)
where:
Base-Base interactions energy: -21.771
where: short stacking energy: -13.348
Base-Backbone interact. energy: -0.446
local terms energy: -33.922565
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -7.628
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: 3.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -56.464225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.464225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.464225 (E_RNA)
where:
Base-Base interactions energy: -21.333
where: short stacking energy: -6.497
Base-Backbone interact. energy: -0.030
local terms energy: -35.101206
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -10.965
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -4.798
tors. eta vs tors. theta energy: 2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -111.934032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.934032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.934032 (E_RNA)
where:
Base-Base interactions energy: -68.028
where: short stacking energy: -24.036
Base-Backbone interact. energy: -0.510
local terms energy: -43.395108
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -8.680
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -7.182
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: 2, replica: 6
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -128.235647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.235647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.235647 (E_RNA)
where:
Base-Base interactions energy: -72.344
where: short stacking energy: -43.601
Base-Backbone interact. energy: -0.011
local terms energy: -55.880180
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -6.289
tors. eta vs tors. theta energy: -14.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -82.839258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.839258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.839258 (E_RNA)
where:
Base-Base interactions energy: -39.801
where: short stacking energy: -25.921
Base-Backbone interact. energy: -0.221
local terms energy: -42.817211
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -10.449
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -5.079
tors. eta vs tors. theta energy: -2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -107.508787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.508787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.508787 (E_RNA)
where:
Base-Base interactions energy: -69.946
where: short stacking energy: -29.713
Base-Backbone interact. energy: -0.104
local terms energy: -37.458492
where:
bonds (distance) C4'-P energy: -8.820
bonds (distance) P-C4' energy: -11.096
flat angles C4'-P-C4' energy: -4.808
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -5.825
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: 5, replica: 10
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -78.554395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.554395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.554395 (E_RNA)
where:
Base-Base interactions energy: -30.349
where: short stacking energy: -24.749
Base-Backbone interact. energy: -0.054
local terms energy: -48.151424
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -11.112
flat angles C4'-P-C4' energy: -7.136
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -7.447
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: 6, replica: 3
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -56.772454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.772454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.772454 (E_RNA)
where:
Base-Base interactions energy: -16.787
where: short stacking energy: -14.714
Base-Backbone interact. energy: -0.211
local terms energy: -39.774356
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -10.941
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: 1.605
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: 7, replica: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -67.158760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.158760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.158760 (E_RNA)
where:
Base-Base interactions energy: -28.039
where: short stacking energy: -25.042
Base-Backbone interact. energy: -0.016
local terms energy: -39.103174
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -7.132
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -5.180
tors. eta vs tors. theta energy: -4.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -64.727771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.727771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.727771 (E_RNA)
where:
Base-Base interactions energy: -24.151
where: short stacking energy: -24.151
Base-Backbone interact. energy: 0.411
local terms energy: -40.987758
where:
bonds (distance) C4'-P energy: -9.532
bonds (distance) P-C4' energy: -7.226
flat angles C4'-P-C4' energy: -8.430
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -7.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -57.714487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.714487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.714487 (E_RNA)
where:
Base-Base interactions energy: -21.266
where: short stacking energy: -19.536
Base-Backbone interact. energy: -0.328
local terms energy: -36.120581
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -9.706
flat angles C4'-P-C4' energy: -7.938
flat angles P-C4'-P energy: -5.317
tors. eta vs tors. theta energy: -2.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -55.612519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.612519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.612519 (E_RNA)
where:
Base-Base interactions energy: -19.459
where: short stacking energy: -15.862
Base-Backbone interact. energy: 1.636
local terms energy: -37.789709
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -7.141
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: 1.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -126.020793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.020793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.020793 (E_RNA)
where:
Base-Base interactions energy: -82.525
where: short stacking energy: -25.669
Base-Backbone interact. energy: -0.138
local terms energy: -43.357643
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -7.827
flat angles P-C4'-P energy: -5.299
tors. eta vs tors. theta energy: -4.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -122.379154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.379154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.379154 (E_RNA)
where:
Base-Base interactions energy: -69.159
where: short stacking energy: -38.714
Base-Backbone interact. energy: 0.168
local terms energy: -53.388244
where:
bonds (distance) C4'-P energy: -9.553
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -12.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -71.624015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.624015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.624015 (E_RNA)
where:
Base-Base interactions energy: -26.530
where: short stacking energy: -21.189
Base-Backbone interact. energy: -0.026
local terms energy: -45.068506
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -10.576
flat angles P-C4'-P energy: -8.827
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: 4, replica: 10
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -76.142557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.142557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.142557 (E_RNA)
where:
Base-Base interactions energy: -36.847
where: short stacking energy: -31.345
Base-Backbone interact. energy: -0.054
local terms energy: -39.241854
where:
bonds (distance) C4'-P energy: -8.252
bonds (distance) P-C4' energy: -8.941
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -3.548
tors. eta vs tors. theta energy: -6.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -68.157778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.157778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.157778 (E_RNA)
where:
Base-Base interactions energy: -31.852
where: short stacking energy: -24.603
Base-Backbone interact. energy: -0.143
local terms energy: -36.163059
where:
bonds (distance) C4'-P energy: -9.292
bonds (distance) P-C4' energy: -8.862
flat angles C4'-P-C4' energy: -8.573
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -1.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -70.986682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.986682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.986682 (E_RNA)
where:
Base-Base interactions energy: -27.407
where: short stacking energy: -26.396
Base-Backbone interact. energy: -0.050
local terms energy: -43.529729
where:
bonds (distance) C4'-P energy: -9.076
bonds (distance) P-C4' energy: -10.640
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -6.598
tors. eta vs tors. theta energy: -4.796
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: 7, replica: 3
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -65.854660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.854660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.854660 (E_RNA)
where:
Base-Base interactions energy: -25.957
where: short stacking energy: -16.154
Base-Backbone interact. energy: -0.014
local terms energy: -39.884247
where:
bonds (distance) C4'-P energy: -5.073
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -10.700
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -3.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -52.736141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.736141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.736141 (E_RNA)
where:
Base-Base interactions energy: -18.677
where: short stacking energy: -16.119
Base-Backbone interact. energy: -0.006
local terms energy: -34.053381
where:
bonds (distance) C4'-P energy: -8.992
bonds (distance) P-C4' energy: -11.036
flat angles C4'-P-C4' energy: -8.695
flat angles P-C4'-P energy: -2.724
tors. eta vs tors. theta energy: -2.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -58.572711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.572711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.572711 (E_RNA)
where:
Base-Base interactions energy: -16.566
where: short stacking energy: -16.566
Base-Backbone interact. energy: -0.170
local terms energy: -41.836598
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -10.848
flat angles C4'-P-C4' energy: -8.666
flat angles P-C4'-P energy: -6.403
tors. eta vs tors. theta energy: -5.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -58.633700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.633700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.633700 (E_RNA)
where:
Base-Base interactions energy: -19.379
where: short stacking energy: -18.932
Base-Backbone interact. energy: -0.016
local terms energy: -39.239161
where:
bonds (distance) C4'-P energy: -7.507
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -8.242
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: -3.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -113.749589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.749589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.749589 (E_RNA)
where:
Base-Base interactions energy: -68.549
where: short stacking energy: -30.573
Base-Backbone interact. energy: -0.002
local terms energy: -45.198536
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -7.373
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -5.098
tors. eta vs tors. theta energy: -8.737
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: 2, replica: 6
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -121.803569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.803569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.803569 (E_RNA)
where:
Base-Base interactions energy: -72.127
where: short stacking energy: -32.919
Base-Backbone interact. energy: -0.001
local terms energy: -49.675416
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -10.541
flat angles C4'-P-C4' energy: -10.495
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -9.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -85.657262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.657262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.657262 (E_RNA)
where:
Base-Base interactions energy: -43.011
where: short stacking energy: -21.478
Base-Backbone interact. energy: -0.002
local terms energy: -42.644081
where:
bonds (distance) C4'-P energy: -7.678
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -11.065
flat angles P-C4'-P energy: -5.123
tors. eta vs tors. theta energy: -6.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -79.689362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.689362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.689362 (E_RNA)
where:
Base-Base interactions energy: -37.560
where: short stacking energy: -14.741
Base-Backbone interact. energy: -0.208
local terms energy: -41.921828
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -6.295
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -9.043
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: 5, replica: 7
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -74.305090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.305090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.305090 (E_RNA)
where:
Base-Base interactions energy: -29.601
where: short stacking energy: -29.601
Base-Backbone interact. energy: -0.004
local terms energy: -44.699629
where:
bonds (distance) C4'-P energy: -6.455
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -5.669
tors. eta vs tors. theta energy: -5.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -67.612660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.612660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.612660 (E_RNA)
where:
Base-Base interactions energy: -26.635
where: short stacking energy: -25.940
Base-Backbone interact. energy: -0.103
local terms energy: -40.874442
where:
bonds (distance) C4'-P energy: -9.100
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -7.630
flat angles P-C4'-P energy: -5.949
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: 7, replica: 9
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -66.802456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.802456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.802456 (E_RNA)
where:
Base-Base interactions energy: -30.576
where: short stacking energy: -20.520
Base-Backbone interact. energy: -0.033
local terms energy: -36.193773
where:
bonds (distance) C4'-P energy: -7.942
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -7.963
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -1.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -58.523101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.523101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.523101 (E_RNA)
where:
Base-Base interactions energy: -18.634
where: short stacking energy: -12.156
Base-Backbone interact. energy: -0.059
local terms energy: -39.830685
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -10.711
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -3.719
tors. eta vs tors. theta energy: -1.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -66.287248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.287248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.287248 (E_RNA)
where:
Base-Base interactions energy: -31.171
where: short stacking energy: -21.826
Base-Backbone interact. energy: -0.143
local terms energy: -34.972969
where:
bonds (distance) C4'-P energy: -9.572
bonds (distance) P-C4' energy: -11.032
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -3.846
tors. eta vs tors. theta energy: 1.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -53.540716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.540716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.540716 (E_RNA)
where:
Base-Base interactions energy: -19.159
where: short stacking energy: -19.159
Base-Backbone interact. energy: -0.222
local terms energy: -34.159393
where:
bonds (distance) C4'-P energy: -6.911
bonds (distance) P-C4' energy: -9.897
flat angles C4'-P-C4' energy: -8.295
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -2.452
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: 1, replica: 8
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -117.348317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.348317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.348317 (E_RNA)
where:
Base-Base interactions energy: -63.074
where: short stacking energy: -40.958
Base-Backbone interact. energy: -0.049
local terms energy: -54.224724
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -10.060
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -12.548
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: 2, replica: 6
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -127.878374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.878374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.878374 (E_RNA)
where:
Base-Base interactions energy: -84.952
where: short stacking energy: -39.606
Base-Backbone interact. energy: -0.114
local terms energy: -42.812421
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -7.883
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -5.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -88.287071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.287071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.287071 (E_RNA)
where:
Base-Base interactions energy: -42.572
where: short stacking energy: -23.753
Base-Backbone interact. energy: 0.548
local terms energy: -46.262801
where:
bonds (distance) C4'-P energy: -8.109
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -7.047
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: 7
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -81.882705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.882705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.882705 (E_RNA)
where:
Base-Base interactions energy: -39.162
where: short stacking energy: -27.275
Base-Backbone interact. energy: -0.059
local terms energy: -42.661598
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -10.346
flat angles C4'-P-C4' energy: -8.268
flat angles P-C4'-P energy: -4.990
tors. eta vs tors. theta energy: -7.746
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: 2
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -66.315607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.315607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.315607 (E_RNA)
where:
Base-Base interactions energy: -31.597
where: short stacking energy: -21.520
Base-Backbone interact. energy: -0.031
local terms energy: -34.687878
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -10.139
flat angles C4'-P-C4' energy: -6.885
flat angles P-C4'-P energy: -2.575
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: 6, replica: 9
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -78.203953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.203953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.203953 (E_RNA)
where:
Base-Base interactions energy: -32.632
where: short stacking energy: -26.689
Base-Backbone interact. energy: -0.082
local terms energy: -45.490546
where:
bonds (distance) C4'-P energy: -10.194
bonds (distance) P-C4' energy: -10.836
flat angles C4'-P-C4' energy: -10.828
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -6.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -70.097700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.097700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.097700 (E_RNA)
where:
Base-Base interactions energy: -28.784
where: short stacking energy: -27.432
Base-Backbone interact. energy: -0.043
local terms energy: -41.270637
where:
bonds (distance) C4'-P energy: -9.193
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -3.409
tors. eta vs tors. theta energy: -7.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -58.454924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.454924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.454924 (E_RNA)
where:
Base-Base interactions energy: -20.322
where: short stacking energy: -15.978
Base-Backbone interact. energy: 0.802
local terms energy: -38.933985
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -7.892
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -1.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -54.182637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.182637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.182637 (E_RNA)
where:
Base-Base interactions energy: -17.297
where: short stacking energy: -12.000
Base-Backbone interact. energy: -0.749
local terms energy: -36.136231
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -9.634
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: 3.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -57.646754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.646754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.646754 (E_RNA)
where:
Base-Base interactions energy: -18.358
where: short stacking energy: -14.485
Base-Backbone interact. energy: -0.106
local terms energy: -39.182092
where:
bonds (distance) C4'-P energy: -5.317
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -10.766
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -3.211
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: 6
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -128.276613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.276613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.276613 (E_RNA)
where:
Base-Base interactions energy: -81.024
where: short stacking energy: -34.022
Base-Backbone interact. energy: 0.143
local terms energy: -47.396346
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: -7.716
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: 2, replica: 8
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -111.144686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.144686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.144686 (E_RNA)
where:
Base-Base interactions energy: -58.554
where: short stacking energy: -37.370
Base-Backbone interact. energy: -0.032
local terms energy: -52.558229
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -9.215
flat angles P-C4'-P energy: -6.048
tors. eta vs tors. theta energy: -13.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -98.854524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.854524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.854524 (E_RNA)
where:
Base-Base interactions energy: -55.609
where: short stacking energy: -22.030
Base-Backbone interact. energy: 0.804
local terms energy: -44.048773
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -2.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -88.559217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.559217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.559217 (E_RNA)
where:
Base-Base interactions energy: -43.839
where: short stacking energy: -28.152
Base-Backbone interact. energy: -0.001
local terms energy: -44.718687
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -9.376
flat angles P-C4'-P energy: -3.893
tors. eta vs tors. theta energy: -7.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -70.274913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.274913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.274913 (E_RNA)
where:
Base-Base interactions energy: -34.052
where: short stacking energy: -18.219
Base-Backbone interact. energy: -0.036
local terms energy: -36.186971
where:
bonds (distance) C4'-P energy: -7.696
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -10.713
flat angles P-C4'-P energy: -5.815
tors. eta vs tors. theta energy: -0.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -73.493267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.493267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.493267 (E_RNA)
where:
Base-Base interactions energy: -38.608
where: short stacking energy: -26.105
Base-Backbone interact. energy: -0.451
local terms energy: -34.434107
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -8.548
flat angles C4'-P-C4' energy: -10.344
flat angles P-C4'-P energy: -2.316
tors. eta vs tors. theta energy: -6.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -66.673980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.673980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.673980 (E_RNA)
where:
Base-Base interactions energy: -25.887
where: short stacking energy: -24.523
Base-Backbone interact. energy: -0.137
local terms energy: -40.650229
where:
bonds (distance) C4'-P energy: -9.964
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -3.497
tors. eta vs tors. theta energy: -3.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -60.054063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.054063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.054063 (E_RNA)
where:
Base-Base interactions energy: -15.859
where: short stacking energy: -14.701
Base-Backbone interact. energy: -0.018
local terms energy: -44.177523
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -9.714
flat angles C4'-P-C4' energy: -11.601
flat angles P-C4'-P energy: -7.150
tors. eta vs tors. theta energy: -3.300
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: 4
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -65.311876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.311876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.311876 (E_RNA)
where:
Base-Base interactions energy: -26.179
where: short stacking energy: -15.766
Base-Backbone interact. energy: 0.122
local terms energy: -39.255223
where:
bonds (distance) C4'-P energy: -6.807
bonds (distance) P-C4' energy: -10.944
flat angles C4'-P-C4' energy: -10.741
flat angles P-C4'-P energy: -6.299
tors. eta vs tors. theta energy: -4.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -53.569574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.569574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.569574 (E_RNA)
where:
Base-Base interactions energy: -14.414
where: short stacking energy: -10.088
Base-Backbone interact. energy: -0.123
local terms energy: -39.032593
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -8.840
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -5.798
tors. eta vs tors. theta energy: -3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -122.263913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.263913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.263913 (E_RNA)
where:
Base-Base interactions energy: -80.193
where: short stacking energy: -24.156
Base-Backbone interact. energy: -0.469
local terms energy: -41.601949
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -10.106
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -2.669
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: 2, replica: 8
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -121.113560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.113560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.113560 (E_RNA)
where:
Base-Base interactions energy: -76.688
where: short stacking energy: -29.739
Base-Backbone interact. energy: -0.341
local terms energy: -44.084614
where:
bonds (distance) C4'-P energy: -9.255
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -10.295
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -5.720
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: 7
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -109.295881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.295881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.295881 (E_RNA)
where:
Base-Base interactions energy: -59.375
where: short stacking energy: -38.562
Base-Backbone interact. energy: -0.011
local terms energy: -49.909656
where:
bonds (distance) C4'-P energy: -9.946
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -8.274
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: 10
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -82.602160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.602160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.602160 (E_RNA)
where:
Base-Base interactions energy: -39.187
where: short stacking energy: -26.617
Base-Backbone interact. energy: -0.651
local terms energy: -42.763714
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -1.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -73.639366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.639366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.639366 (E_RNA)
where:
Base-Base interactions energy: -26.201
where: short stacking energy: -25.855
Base-Backbone interact. energy: -0.006
local terms energy: -47.432346
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -6.964
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -8.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -63.311139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.311139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.311139 (E_RNA)
where:
Base-Base interactions energy: -26.795
where: short stacking energy: -14.345
Base-Backbone interact. energy: -0.799
local terms energy: -35.716674
where:
bonds (distance) C4'-P energy: -8.730
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -3.010
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: 7, replica: 2
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -57.326794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.326794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.326794 (E_RNA)
where:
Base-Base interactions energy: -24.120
where: short stacking energy: -17.265
Base-Backbone interact. energy: 0.828
local terms energy: -34.035354
where:
bonds (distance) C4'-P energy: -6.795
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -6.536
flat angles P-C4'-P energy: -6.615
tors. eta vs tors. theta energy: -1.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -62.618555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.618555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.618555 (E_RNA)
where:
Base-Base interactions energy: -21.711
where: short stacking energy: -11.460
Base-Backbone interact. energy: -0.314
local terms energy: -40.593529
where:
bonds (distance) C4'-P energy: -9.694
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -5.741
tors. eta vs tors. theta energy: -0.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -68.193019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.193019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.193019 (E_RNA)
where:
Base-Base interactions energy: -30.348
where: short stacking energy: -14.569
Base-Backbone interact. energy: -0.129
local terms energy: -37.716091
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -9.905
flat angles C4'-P-C4' energy: -8.624
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -0.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -55.172202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.172202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.172202 (E_RNA)
where:
Base-Base interactions energy: -19.368
where: short stacking energy: -9.681
Base-Backbone interact. energy: -0.178
local terms energy: -35.626169
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -9.151
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -4.238
tors. eta vs tors. theta energy: 0.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -119.343300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.343300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.343300 (E_RNA)
where:
Base-Base interactions energy: -65.742
where: short stacking energy: -20.537
Base-Backbone interact. energy: -1.462
local terms energy: -52.139466
where:
bonds (distance) C4'-P energy: -10.313
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -8.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -131.147044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.147044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.147044 (E_RNA)
where:
Base-Base interactions energy: -83.165
where: short stacking energy: -30.506
Base-Backbone interact. energy: -0.234
local terms energy: -47.747516
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -11.450
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -5.585
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: 3, replica: 7
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -122.917087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.917087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.917087 (E_RNA)
where:
Base-Base interactions energy: -72.900
where: short stacking energy: -35.361
Base-Backbone interact. energy: -0.721
local terms energy: -49.296015
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -9.228
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -8.669
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: 4, replica: 10
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -101.291798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.291798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.291798 (E_RNA)
where:
Base-Base interactions energy: -59.795
where: short stacking energy: -30.406
Base-Backbone interact. energy: -1.957
local terms energy: -39.540023
where:
bonds (distance) C4'-P energy: -10.434
bonds (distance) P-C4' energy: -7.800
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -4.977
tors. eta vs tors. theta energy: -5.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -93.373328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.373328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.373328 (E_RNA)
where:
Base-Base interactions energy: -52.286
where: short stacking energy: -22.770
Base-Backbone interact. energy: -0.331
local terms energy: -40.755933
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -9.903
flat angles P-C4'-P energy: -3.516
tors. eta vs tors. theta energy: -3.849
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: 9
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -70.892972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.892972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.892972 (E_RNA)
where:
Base-Base interactions energy: -24.308
where: short stacking energy: -22.407
Base-Backbone interact. energy: -0.000
local terms energy: -46.585181
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -10.637
flat angles P-C4'-P energy: -5.667
tors. eta vs tors. theta energy: -7.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -89.978265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.978265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.978265 (E_RNA)
where:
Base-Base interactions energy: -45.303
where: short stacking energy: -21.681
Base-Backbone interact. energy: -0.416
local terms energy: -44.258738
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -10.061
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -4.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -61.629075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.629075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.629075 (E_RNA)
where:
Base-Base interactions energy: -25.305
where: short stacking energy: -19.323
Base-Backbone interact. energy: -0.118
local terms energy: -36.206462
where:
bonds (distance) C4'-P energy: -10.368
bonds (distance) P-C4' energy: -9.950
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -2.215
tors. eta vs tors. theta energy: -0.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -61.811260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.811260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.811260 (E_RNA)
where:
Base-Base interactions energy: -23.966
where: short stacking energy: -17.681
Base-Backbone interact. energy: -0.031
local terms energy: -37.814448
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -9.165
flat angles C4'-P-C4' energy: -5.635
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -2.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -59.611475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.611475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.611475 (E_RNA)
where:
Base-Base interactions energy: -15.893
where: short stacking energy: -13.886
Base-Backbone interact. energy: -0.022
local terms energy: -43.696524
where:
bonds (distance) C4'-P energy: -9.978
bonds (distance) P-C4' energy: -10.912
flat angles C4'-P-C4' energy: -11.353
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -2.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -110.424635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.424635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.424635 (E_RNA)
where:
Base-Base interactions energy: -65.457
where: short stacking energy: -34.604
Base-Backbone interact. energy: 1.437
local terms energy: -46.404681
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -9.799
flat angles C4'-P-C4' energy: -8.004
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -7.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -127.398781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.398781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.398781 (E_RNA)
where:
Base-Base interactions energy: -86.904
where: short stacking energy: -34.703
Base-Backbone interact. energy: -0.702
local terms energy: -39.792861
where:
bonds (distance) C4'-P energy: -8.485
bonds (distance) P-C4' energy: -9.894
flat angles C4'-P-C4' energy: -10.799
flat angles P-C4'-P energy: -3.831
tors. eta vs tors. theta energy: -6.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -111.058461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.058461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.058461 (E_RNA)
where:
Base-Base interactions energy: -60.662
where: short stacking energy: -26.363
Base-Backbone interact. energy: -0.216
local terms energy: -50.181043
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -9.552
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -8.955
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: 3
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -110.753275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.753275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.753275 (E_RNA)
where:
Base-Base interactions energy: -76.508
where: short stacking energy: -21.450
Base-Backbone interact. energy: 0.613
local terms energy: -34.857537
where:
bonds (distance) C4'-P energy: -9.221
bonds (distance) P-C4' energy: -8.041
flat angles C4'-P-C4' energy: -10.160
flat angles P-C4'-P energy: -5.423
tors. eta vs tors. theta energy: -2.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -78.421496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.421496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.421496 (E_RNA)
where:
Base-Base interactions energy: -35.192
where: short stacking energy: -15.034
Base-Backbone interact. energy: -0.287
local terms energy: -42.942328
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -10.735
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -2.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -83.850589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.850589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.850589 (E_RNA)
where:
Base-Base interactions energy: -43.333
where: short stacking energy: -29.414
Base-Backbone interact. energy: -0.001
local terms energy: -40.517026
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -5.901
flat angles P-C4'-P energy: -4.338
tors. eta vs tors. theta energy: -7.326
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: 7, replica: 9
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -54.760780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.760780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.760780 (E_RNA)
where:
Base-Base interactions energy: -20.301
where: short stacking energy: -11.102
Base-Backbone interact. energy: -0.808
local terms energy: -33.651451
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -7.984
flat angles P-C4'-P energy: -6.072
tors. eta vs tors. theta energy: 0.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -64.860633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.860633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.860633 (E_RNA)
where:
Base-Base interactions energy: -26.223
where: short stacking energy: -21.506
Base-Backbone interact. energy: -0.478
local terms energy: -38.160139
where:
bonds (distance) C4'-P energy: -7.930
bonds (distance) P-C4' energy: -7.643
flat angles C4'-P-C4' energy: -11.002
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -5.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -55.353592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.353592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.353592 (E_RNA)
where:
Base-Base interactions energy: -18.117
where: short stacking energy: -6.061
Base-Backbone interact. energy: -0.168
local terms energy: -37.068632
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -4.816
tors. eta vs tors. theta energy: 4.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -59.427197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.427197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.427197 (E_RNA)
where:
Base-Base interactions energy: -18.657
where: short stacking energy: -18.526
Base-Backbone interact. energy: -0.143
local terms energy: -40.626882
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -10.208
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: 0.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -143.968983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.968983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.968983 (E_RNA)
where:
Base-Base interactions energy: -91.967
where: short stacking energy: -38.149
Base-Backbone interact. energy: -1.050
local terms energy: -50.952016
where:
bonds (distance) C4'-P energy: -9.842
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -7.753
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: 2, replica: 8
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -101.045873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.045873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.045873 (E_RNA)
where:
Base-Base interactions energy: -51.763
where: short stacking energy: -26.362
Base-Backbone interact. energy: -0.334
local terms energy: -48.948731
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -6.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -101.797483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.797483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.797483 (E_RNA)
where:
Base-Base interactions energy: -64.167
where: short stacking energy: -30.344
Base-Backbone interact. energy: -0.049
local terms energy: -37.581555
where:
bonds (distance) C4'-P energy: -8.489
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -3.741
tors. eta vs tors. theta energy: -5.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -94.502971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.502971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.502971 (E_RNA)
where:
Base-Base interactions energy: -47.860
where: short stacking energy: -33.647
Base-Backbone interact. energy: -0.091
local terms energy: -46.552583
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -10.882
flat angles C4'-P-C4' energy: -10.862
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -8.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -94.170490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.170490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.170490 (E_RNA)
where:
Base-Base interactions energy: -53.007
where: short stacking energy: -38.794
Base-Backbone interact. energy: -0.106
local terms energy: -41.057164
where:
bonds (distance) C4'-P energy: -8.823
bonds (distance) P-C4' energy: -10.288
flat angles C4'-P-C4' energy: -10.480
flat angles P-C4'-P energy: -5.950
tors. eta vs tors. theta energy: -5.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -67.977558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.977558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.977558 (E_RNA)
where:
Base-Base interactions energy: -25.698
where: short stacking energy: -21.611
Base-Backbone interact. energy: -0.062
local terms energy: -42.217371
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -11.830
flat angles C4'-P-C4' energy: -8.429
flat angles P-C4'-P energy: -5.786
tors. eta vs tors. theta energy: -6.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -63.313445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.313445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.313445 (E_RNA)
where:
Base-Base interactions energy: -19.375
where: short stacking energy: -19.366
Base-Backbone interact. energy: -0.097
local terms energy: -43.840700
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -10.013
flat angles C4'-P-C4' energy: -9.795
flat angles P-C4'-P energy: -8.729
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: 8, replica: 9
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -70.990151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.990151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.990151 (E_RNA)
where:
Base-Base interactions energy: -33.607
where: short stacking energy: -19.056
Base-Backbone interact. energy: -0.428
local terms energy: -36.955429
where:
bonds (distance) C4'-P energy: -6.120
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -5.450
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -3.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -59.780894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.780894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.780894 (E_RNA)
where:
Base-Base interactions energy: -19.760
where: short stacking energy: -19.195
Base-Backbone interact. energy: -0.239
local terms energy: -39.781515
where:
bonds (distance) C4'-P energy: -5.963
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -4.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -54.561624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.561624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.561624 (E_RNA)
where:
Base-Base interactions energy: -22.380
where: short stacking energy: -22.380
Base-Backbone interact. energy: -0.095
local terms energy: -32.086461
where:
bonds (distance) C4'-P energy: -3.918
bonds (distance) P-C4' energy: -8.022
flat angles C4'-P-C4' energy: -9.304
flat angles P-C4'-P energy: -4.065
tors. eta vs tors. theta energy: -6.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -139.240073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.240073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.240073 (E_RNA)
where:
Base-Base interactions energy: -92.421
where: short stacking energy: -37.717
Base-Backbone interact. energy: -0.762
local terms energy: -46.057631
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -8.294
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -7.579
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: 3
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -107.368575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.368575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.368575 (E_RNA)
where:
Base-Base interactions energy: -61.041
where: short stacking energy: -39.929
Base-Backbone interact. energy: -0.000
local terms energy: -46.327193
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -7.074
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -4.653
tors. eta vs tors. theta energy: -10.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -115.256407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.256407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.256407 (E_RNA)
where:
Base-Base interactions energy: -75.814
where: short stacking energy: -28.906
Base-Backbone interact. energy: -0.071
local terms energy: -39.371430
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -9.004
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -4.295
tors. eta vs tors. theta energy: -6.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -81.450618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.450618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.450618 (E_RNA)
where:
Base-Base interactions energy: -30.506
where: short stacking energy: -27.196
Base-Backbone interact. energy: -0.187
local terms energy: -50.756949
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -4.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -81.612520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.612520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.612520 (E_RNA)
where:
Base-Base interactions energy: -43.174
where: short stacking energy: -30.230
Base-Backbone interact. energy: 0.100
local terms energy: -38.539277
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -10.200
flat angles C4'-P-C4' energy: -6.842
flat angles P-C4'-P energy: -4.702
tors. eta vs tors. theta energy: -4.974
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: 2
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -63.131358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.131358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.131358 (E_RNA)
where:
Base-Base interactions energy: -23.370
where: short stacking energy: -22.534
Base-Backbone interact. energy: -0.057
local terms energy: -39.703814
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -11.243
flat angles C4'-P-C4' energy: -7.074
flat angles P-C4'-P energy: -5.535
tors. eta vs tors. theta energy: -4.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -74.608731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.608731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.608731 (E_RNA)
where:
Base-Base interactions energy: -32.505
where: short stacking energy: -22.368
Base-Backbone interact. energy: 0.807
local terms energy: -42.910674
where:
bonds (distance) C4'-P energy: -8.171
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -8.293
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -5.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -65.499004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.499004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.499004 (E_RNA)
where:
Base-Base interactions energy: -21.669
where: short stacking energy: -17.478
Base-Backbone interact. energy: -0.099
local terms energy: -43.731193
where:
bonds (distance) C4'-P energy: -7.831
bonds (distance) P-C4' energy: -12.066
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -4.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -79.173356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.173356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.173356 (E_RNA)
where:
Base-Base interactions energy: -42.320
where: short stacking energy: -28.861
Base-Backbone interact. energy: -0.120
local terms energy: -36.733453
where:
bonds (distance) C4'-P energy: -10.367
bonds (distance) P-C4' energy: -11.024
flat angles C4'-P-C4' energy: -7.031
flat angles P-C4'-P energy: -3.369
tors. eta vs tors. theta energy: -4.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -55.363093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.363093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.363093 (E_RNA)
where:
Base-Base interactions energy: -29.020
where: short stacking energy: -6.223
Base-Backbone interact. energy: 0.129
local terms energy: -26.472650
where:
bonds (distance) C4'-P energy: -5.611
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -6.153
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: 3.125
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: 6
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -146.193023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.193023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.193023 (E_RNA)
where:
Base-Base interactions energy: -93.832
where: short stacking energy: -36.578
Base-Backbone interact. energy: -0.617
local terms energy: -51.744549
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -8.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -109.251331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.251331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.251331 (E_RNA)
where:
Base-Base interactions energy: -70.716
where: short stacking energy: -30.812
Base-Backbone interact. energy: -0.068
local terms energy: -38.467191
where:
bonds (distance) C4'-P energy: -9.698
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -5.276
flat angles P-C4'-P energy: -6.711
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: 3, replica: 8
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -123.960990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.960990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.960990 (E_RNA)
where:
Base-Base interactions energy: -81.592
where: short stacking energy: -23.315
Base-Backbone interact. energy: -0.603
local terms energy: -41.766164
where:
bonds (distance) C4'-P energy: -9.665
bonds (distance) P-C4' energy: -9.753
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -8.687
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: 4, replica: 7
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -77.724593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.724593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.724593 (E_RNA)
where:
Base-Base interactions energy: -35.759
where: short stacking energy: -17.057
Base-Backbone interact. energy: -0.008
local terms energy: -41.957594
where:
bonds (distance) C4'-P energy: -8.907
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -7.964
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -4.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -67.017543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.017543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.017543 (E_RNA)
where:
Base-Base interactions energy: -24.137
where: short stacking energy: -19.454
Base-Backbone interact. energy: -0.104
local terms energy: -42.776339
where:
bonds (distance) C4'-P energy: -9.549
bonds (distance) P-C4' energy: -9.769
flat angles C4'-P-C4' energy: -10.831
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -2.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -94.688254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.688254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.688254 (E_RNA)
where:
Base-Base interactions energy: -54.100
where: short stacking energy: -24.598
Base-Backbone interact. energy: -0.435
local terms energy: -40.153253
where:
bonds (distance) C4'-P energy: -5.641
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -8.023
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -4.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -69.929117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.929117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.929117 (E_RNA)
where:
Base-Base interactions energy: -23.553
where: short stacking energy: -23.481
Base-Backbone interact. energy: -0.081
local terms energy: -46.295207
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -8.211
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -5.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -67.575863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.575863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.575863 (E_RNA)
where:
Base-Base interactions energy: -26.141
where: short stacking energy: -23.557
Base-Backbone interact. energy: -0.042
local terms energy: -41.393374
where:
bonds (distance) C4'-P energy: -10.235
bonds (distance) P-C4' energy: -11.557
flat angles C4'-P-C4' energy: -11.276
flat angles P-C4'-P energy: -2.767
tors. eta vs tors. theta energy: -5.559
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: 9, replica: 5
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -69.512403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.512403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.512403 (E_RNA)
where:
Base-Base interactions energy: -32.512
where: short stacking energy: -18.190
Base-Backbone interact. energy: 0.264
local terms energy: -37.264809
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -6.690
flat angles P-C4'-P energy: -3.777
tors. eta vs tors. theta energy: -2.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -62.388152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.388152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.388152 (E_RNA)
where:
Base-Base interactions energy: -22.490
where: short stacking energy: -18.279
Base-Backbone interact. energy: -0.115
local terms energy: -39.783229
where:
bonds (distance) C4'-P energy: -8.973
bonds (distance) P-C4' energy: -5.172
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -5.174
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: 1, replica: 6
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -142.508649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.508649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.508649 (E_RNA)
where:
Base-Base interactions energy: -95.722
where: short stacking energy: -39.046
Base-Backbone interact. energy: 1.521
local terms energy: -48.307969
where:
bonds (distance) C4'-P energy: -9.788
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -11.090
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -6.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -134.680423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.680423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.680423 (E_RNA)
where:
Base-Base interactions energy: -87.169
where: short stacking energy: -35.575
Base-Backbone interact. energy: 0.326
local terms energy: -47.837753
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -11.642
flat angles P-C4'-P energy: -4.937
tors. eta vs tors. theta energy: -8.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -115.968160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.968160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.968160 (E_RNA)
where:
Base-Base interactions energy: -71.947
where: short stacking energy: -37.916
Base-Backbone interact. energy: -0.014
local terms energy: -44.007682
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -8.290
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -7.216
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: 4, replica: 7
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -74.238859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.238859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.238859 (E_RNA)
where:
Base-Base interactions energy: -38.327
where: short stacking energy: -15.017
Base-Backbone interact. energy: -0.252
local terms energy: -35.660019
where:
bonds (distance) C4'-P energy: -6.456
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -7.141
tors. eta vs tors. theta energy: 1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -72.838988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.838988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.838988 (E_RNA)
where:
Base-Base interactions energy: -27.765
where: short stacking energy: -27.765
Base-Backbone interact. energy: -0.078
local terms energy: -44.995770
where:
bonds (distance) C4'-P energy: -8.853
bonds (distance) P-C4' energy: -9.249
flat angles C4'-P-C4' energy: -9.430
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: -11.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -64.685038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.685038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.685038 (E_RNA)
where:
Base-Base interactions energy: -19.363
where: short stacking energy: -18.617
Base-Backbone interact. energy: -0.131
local terms energy: -45.190404
where:
bonds (distance) C4'-P energy: -9.076
bonds (distance) P-C4' energy: -10.213
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -5.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -63.999694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.999694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.999694 (E_RNA)
where:
Base-Base interactions energy: -23.419
where: short stacking energy: -15.069
Base-Backbone interact. energy: -0.015
local terms energy: -40.566248
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -9.720
flat angles P-C4'-P energy: -5.920
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: 8, replica: 5
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -56.563522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.563522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.563522 (E_RNA)
where:
Base-Base interactions energy: -23.472
where: short stacking energy: -22.936
Base-Backbone interact. energy: -1.141
local terms energy: -31.950859
where:
bonds (distance) C4'-P energy: -5.632
bonds (distance) P-C4' energy: -6.858
flat angles C4'-P-C4' energy: -6.765
flat angles P-C4'-P energy: -6.284
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: 9, replica: 4
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -55.202520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.202520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.202520 (E_RNA)
where:
Base-Base interactions energy: -20.859
where: short stacking energy: -15.965
Base-Backbone interact. energy: -0.042
local terms energy: -34.301985
where:
bonds (distance) C4'-P energy: -6.824
bonds (distance) P-C4' energy: -8.929
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -5.629
tors. eta vs tors. theta energy: -1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -58.937281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.937281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.937281 (E_RNA)
where:
Base-Base interactions energy: -24.311
where: short stacking energy: -15.064
Base-Backbone interact. energy: -0.016
local terms energy: -34.610634
where:
bonds (distance) C4'-P energy: -8.208
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -9.144
flat angles P-C4'-P energy: -3.392
tors. eta vs tors. theta energy: -2.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -138.417760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.417760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.417760 (E_RNA)
where:
Base-Base interactions energy: -89.677
where: short stacking energy: -33.219
Base-Backbone interact. energy: -0.509
local terms energy: -48.231951
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -10.941
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: -7.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -108.280265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.280265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.280265 (E_RNA)
where:
Base-Base interactions energy: -63.004
where: short stacking energy: -27.242
Base-Backbone interact. energy: -0.733
local terms energy: -44.543170
where:
bonds (distance) C4'-P energy: -9.486
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -3.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -115.670930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.670930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.670930 (E_RNA)
where:
Base-Base interactions energy: -77.197
where: short stacking energy: -18.327
Base-Backbone interact. energy: -0.659
local terms energy: -37.814247
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -9.015
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -6.278
tors. eta vs tors. theta energy: 1.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -81.209825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.209825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.209825 (E_RNA)
where:
Base-Base interactions energy: -41.747
where: short stacking energy: -15.269
Base-Backbone interact. energy: -1.353
local terms energy: -38.109820
where:
bonds (distance) C4'-P energy: -9.096
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -8.890
flat angles P-C4'-P energy: -6.115
tors. eta vs tors. theta energy: 0.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -65.077407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.077407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.077407 (E_RNA)
where:
Base-Base interactions energy: -18.943
where: short stacking energy: -18.943
Base-Backbone interact. energy: -0.097
local terms energy: -46.037585
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -3.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -64.589213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.589213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.589213 (E_RNA)
where:
Base-Base interactions energy: -18.704
where: short stacking energy: -18.704
Base-Backbone interact. energy: -1.098
local terms energy: -44.786924
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -10.430
flat angles C4'-P-C4' energy: -9.539
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -5.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -60.876510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.876510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.876510 (E_RNA)
where:
Base-Base interactions energy: -19.247
where: short stacking energy: -14.382
Base-Backbone interact. energy: -0.248
local terms energy: -41.381473
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -10.322
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: 0.921
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: 10
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -62.193256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.193256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.193256 (E_RNA)
where:
Base-Base interactions energy: -18.366
where: short stacking energy: -13.271
Base-Backbone interact. energy: -0.037
local terms energy: -43.789920
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -10.502
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: -1.377
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: 9, replica: 9
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -62.127220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.127220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.127220 (E_RNA)
where:
Base-Base interactions energy: -19.779
where: short stacking energy: -11.719
Base-Backbone interact. energy: -0.083
local terms energy: -42.264724
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -10.012
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -53.435789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.435789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.435789 (E_RNA)
where:
Base-Base interactions energy: -11.674
where: short stacking energy: -11.674
Base-Backbone interact. energy: -0.179
local terms energy: -41.582589
where:
bonds (distance) C4'-P energy: -7.652
bonds (distance) P-C4' energy: -11.592
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -2.171
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: 6
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -141.832918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.832918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.832918 (E_RNA)
where:
Base-Base interactions energy: -91.828
where: short stacking energy: -25.810
Base-Backbone interact. energy: -1.259
local terms energy: -48.746038
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -9.108
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -5.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -138.800924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.800924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.800924 (E_RNA)
where:
Base-Base interactions energy: -84.927
where: short stacking energy: -39.366
Base-Backbone interact. energy: -0.383
local terms energy: -53.490498
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -10.492
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -9.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -106.499805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.499805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.499805 (E_RNA)
where:
Base-Base interactions energy: -55.811
where: short stacking energy: -21.728
Base-Backbone interact. energy: -0.035
local terms energy: -50.654487
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -6.955
tors. eta vs tors. theta energy: -6.675
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: 2
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -76.556599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.556599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.556599 (E_RNA)
where:
Base-Base interactions energy: -32.369
where: short stacking energy: -30.061
Base-Backbone interact. energy: -0.019
local terms energy: -44.168220
where:
bonds (distance) C4'-P energy: -8.518
bonds (distance) P-C4' energy: -8.616
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -7.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -99.075725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.075725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.075725 (E_RNA)
where:
Base-Base interactions energy: -52.134
where: short stacking energy: -22.613
Base-Backbone interact. energy: 0.608
local terms energy: -47.550384
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -10.590
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: -8.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -70.954251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.954251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.954251 (E_RNA)
where:
Base-Base interactions energy: -27.001
where: short stacking energy: -27.001
Base-Backbone interact. energy: -0.059
local terms energy: -43.893990
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -10.610
flat angles C4'-P-C4' energy: -10.562
flat angles P-C4'-P energy: -6.296
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: 7, replica: 5
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -72.694879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.694879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.694879 (E_RNA)
where:
Base-Base interactions energy: -29.859
where: short stacking energy: -29.859
Base-Backbone interact. energy: -0.002
local terms energy: -42.834368
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -8.039
flat angles C4'-P-C4' energy: -9.369
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -8.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -69.429043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.429043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.429043 (E_RNA)
where:
Base-Base interactions energy: -40.691
where: short stacking energy: -29.699
Base-Backbone interact. energy: -0.003
local terms energy: -28.734853
where:
bonds (distance) C4'-P energy: -3.371
bonds (distance) P-C4' energy: -9.061
flat angles C4'-P-C4' energy: -10.098
flat angles P-C4'-P energy: -2.662
tors. eta vs tors. theta energy: -3.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -53.325438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.325438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.325438 (E_RNA)
where:
Base-Base interactions energy: -15.045
where: short stacking energy: -8.628
Base-Backbone interact. energy: -1.599
local terms energy: -36.681218
where:
bonds (distance) C4'-P energy: -10.992
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -9.727
flat angles P-C4'-P energy: -5.924
tors. eta vs tors. theta energy: 1.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -60.469527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.469527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.469527 (E_RNA)
where:
Base-Base interactions energy: -21.647
where: short stacking energy: -21.647
Base-Backbone interact. energy: -0.156
local terms energy: -38.667179
where:
bonds (distance) C4'-P energy: -6.825
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -1.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -146.018987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.018987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.018987 (E_RNA)
where:
Base-Base interactions energy: -100.804
where: short stacking energy: -35.161
Base-Backbone interact. energy: 0.489
local terms energy: -45.704393
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -8.426
flat angles P-C4'-P energy: -6.835
tors. eta vs tors. theta energy: -6.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -132.955253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.955253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.955253 (E_RNA)
where:
Base-Base interactions energy: -89.152
where: short stacking energy: -30.742
Base-Backbone interact. energy: -0.418
local terms energy: -43.385335
where:
bonds (distance) C4'-P energy: -7.018
bonds (distance) P-C4' energy: -11.830
flat angles C4'-P-C4' energy: -9.163
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -5.818
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: 230
Temperature: 1.000000
Total energy: -106.273401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.273401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.273401 (E_RNA)
where:
Base-Base interactions energy: -53.781
where: short stacking energy: -38.865
Base-Backbone interact. energy: -0.057
local terms energy: -52.435571
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -11.401
flat angles C4'-P-C4' energy: -10.521
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -11.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -82.879935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.879935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.879935 (E_RNA)
where:
Base-Base interactions energy: -32.989
where: short stacking energy: -32.989
Base-Backbone interact. energy: -0.009
local terms energy: -49.882365
where:
bonds (distance) C4'-P energy: -10.025
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -11.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -65.735896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.735896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.735896 (E_RNA)
where:
Base-Base interactions energy: -20.082
where: short stacking energy: -20.082
Base-Backbone interact. energy: -0.128
local terms energy: -45.526560
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -9.523
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -4.554
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: 230
Temperature: 1.150000
Total energy: -76.157175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.157175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.157175 (E_RNA)
where:
Base-Base interactions energy: -26.839
where: short stacking energy: -24.262
Base-Backbone interact. energy: -0.179
local terms energy: -49.139234
where:
bonds (distance) C4'-P energy: -8.795
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -7.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -56.382230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.382230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.382230 (E_RNA)
where:
Base-Base interactions energy: -20.577
where: short stacking energy: -20.577
Base-Backbone interact. energy: -0.098
local terms energy: -35.707592
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -7.598
flat angles P-C4'-P energy: -1.900
tors. eta vs tors. theta energy: -4.121
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: 5
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -65.112995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.112995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.112995 (E_RNA)
where:
Base-Base interactions energy: -21.480
where: short stacking energy: -20.229
Base-Backbone interact. energy: -0.000
local terms energy: -43.632552
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -7.232
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -5.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -58.279963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.279963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.279963 (E_RNA)
where:
Base-Base interactions energy: -22.534
where: short stacking energy: -20.350
Base-Backbone interact. energy: -0.267
local terms energy: -35.479532
where:
bonds (distance) C4'-P energy: -9.566
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -5.062
flat angles P-C4'-P energy: -3.702
tors. eta vs tors. theta energy: -5.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -50.454495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.454495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.454495 (E_RNA)
where:
Base-Base interactions energy: -20.190
where: short stacking energy: -13.115
Base-Backbone interact. energy: -0.107
local terms energy: -30.157039
where:
bonds (distance) C4'-P energy: -8.359
bonds (distance) P-C4' energy: -7.484
flat angles C4'-P-C4' energy: -10.392
flat angles P-C4'-P energy: -5.763
tors. eta vs tors. theta energy: 1.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -143.589834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.589834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.589834 (E_RNA)
where:
Base-Base interactions energy: -92.280
where: short stacking energy: -30.452
Base-Backbone interact. energy: -0.517
local terms energy: -50.792816
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -7.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -111.509827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.509827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.509827 (E_RNA)
where:
Base-Base interactions energy: -67.587
where: short stacking energy: -30.616
Base-Backbone interact. energy: -0.081
local terms energy: -43.841906
where:
bonds (distance) C4'-P energy: -5.864
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -8.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -140.615833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.615833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.615833 (E_RNA)
where:
Base-Base interactions energy: -88.780
where: short stacking energy: -36.962
Base-Backbone interact. energy: -0.678
local terms energy: -51.157344
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -11.045
flat angles C4'-P-C4' energy: -10.248
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -9.042
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: 4, replica: 2
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -78.992725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.992725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.992725 (E_RNA)
where:
Base-Base interactions energy: -41.089
where: short stacking energy: -22.690
Base-Backbone interact. energy: -0.130
local terms energy: -37.774507
where:
bonds (distance) C4'-P energy: -9.502
bonds (distance) P-C4' energy: -11.987
flat angles C4'-P-C4' energy: -9.029
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: -1.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -82.455673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.455673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.455673 (E_RNA)
where:
Base-Base interactions energy: -41.130
where: short stacking energy: -22.827
Base-Backbone interact. energy: -0.253
local terms energy: -41.073253
where:
bonds (distance) C4'-P energy: -6.989
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -9.877
flat angles P-C4'-P energy: -8.728
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: 6, replica: 7
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -71.164950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.164950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.164950 (E_RNA)
where:
Base-Base interactions energy: -32.712
where: short stacking energy: -23.458
Base-Backbone interact. energy: 0.267
local terms energy: -38.719851
where:
bonds (distance) C4'-P energy: -10.367
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -5.545
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -2.698
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: 7, replica: 9
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -64.527509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.527509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.527509 (E_RNA)
where:
Base-Base interactions energy: -26.882
where: short stacking energy: -18.952
Base-Backbone interact. energy: -0.179
local terms energy: -37.466873
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -8.313
flat angles P-C4'-P energy: -3.383
tors. eta vs tors. theta energy: -0.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -66.467620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.467620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.467620 (E_RNA)
where:
Base-Base interactions energy: -28.555
where: short stacking energy: -11.893
Base-Backbone interact. energy: -0.213
local terms energy: -37.699366
where:
bonds (distance) C4'-P energy: -10.045
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -8.181
flat angles P-C4'-P energy: -10.746
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: 9, replica: 5
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -62.733931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.733931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.733931 (E_RNA)
where:
Base-Base interactions energy: -24.154
where: short stacking energy: -18.741
Base-Backbone interact. energy: -0.122
local terms energy: -38.458155
where:
bonds (distance) C4'-P energy: -8.339
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -8.840
flat angles P-C4'-P energy: -5.595
tors. eta vs tors. theta energy: -3.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -58.916314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.916314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.916314 (E_RNA)
where:
Base-Base interactions energy: -27.666
where: short stacking energy: -6.798
Base-Backbone interact. energy: -0.183
local terms energy: -31.067588
where:
bonds (distance) C4'-P energy: -8.616
bonds (distance) P-C4' energy: -10.746
flat angles C4'-P-C4' energy: -7.079
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: 3.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -112.107987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.107987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.107987 (E_RNA)
where:
Base-Base interactions energy: -72.096
where: short stacking energy: -32.966
Base-Backbone interact. energy: -0.621
local terms energy: -39.390960
where:
bonds (distance) C4'-P energy: -8.261
bonds (distance) P-C4' energy: -6.822
flat angles C4'-P-C4' energy: -8.756
flat angles P-C4'-P energy: -7.934
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: 2, replica: 3
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -136.400892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.400892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.400892 (E_RNA)
where:
Base-Base interactions energy: -89.666
where: short stacking energy: -43.680
Base-Backbone interact. energy: -0.214
local terms energy: -46.521004
where:
bonds (distance) C4'-P energy: -7.872
bonds (distance) P-C4' energy: -10.753
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -7.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -112.075207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.075207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.075207 (E_RNA)
where:
Base-Base interactions energy: -74.565
where: short stacking energy: -31.404
Base-Backbone interact. energy: 0.127
local terms energy: -37.636561
where:
bonds (distance) C4'-P energy: -6.994
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -10.539
flat angles P-C4'-P energy: -6.302
tors. eta vs tors. theta energy: -2.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -71.950101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.950101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.950101 (E_RNA)
where:
Base-Base interactions energy: -25.804
where: short stacking energy: -23.723
Base-Backbone interact. energy: -0.054
local terms energy: -46.091915
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -10.033
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -3.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -71.309590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.309590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.309590 (E_RNA)
where:
Base-Base interactions energy: -23.956
where: short stacking energy: -24.256
Base-Backbone interact. energy: -1.212
local terms energy: -46.140738
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -3.710
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: 6, replica: 1
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -69.384482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.384482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.384482 (E_RNA)
where:
Base-Base interactions energy: -33.391
where: short stacking energy: -15.189
Base-Backbone interact. energy: -0.440
local terms energy: -35.553330
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -9.257
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: 0.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -79.855022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.855022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.855022 (E_RNA)
where:
Base-Base interactions energy: -44.052
where: short stacking energy: -29.118
Base-Backbone interact. energy: -0.289
local terms energy: -35.514677
where:
bonds (distance) C4'-P energy: -8.501
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -8.660
flat angles P-C4'-P energy: -2.960
tors. eta vs tors. theta energy: -3.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -54.265573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.265573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.265573 (E_RNA)
where:
Base-Base interactions energy: -23.609
where: short stacking energy: -18.254
Base-Backbone interact. energy: -0.050
local terms energy: -30.606941
where:
bonds (distance) C4'-P energy: -9.114
bonds (distance) P-C4' energy: -10.550
flat angles C4'-P-C4' energy: -8.586
flat angles P-C4'-P energy: -0.322
tors. eta vs tors. theta energy: -2.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -55.246317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.246317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.246317 (E_RNA)
where:
Base-Base interactions energy: -22.487
where: short stacking energy: -14.851
Base-Backbone interact. energy: -0.332
local terms energy: -32.426714
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -8.922
flat angles C4'-P-C4' energy: -5.462
flat angles P-C4'-P energy: -7.472
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: 10, replica: 5
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -59.279686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.279686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.279686 (E_RNA)
where:
Base-Base interactions energy: -19.959
where: short stacking energy: -18.544
Base-Backbone interact. energy: -0.206
local terms energy: -39.114538
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -10.671
flat angles C4'-P-C4' energy: -10.323
flat angles P-C4'-P energy: -3.896
tors. eta vs tors. theta energy: -3.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -140.183869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.183869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.183869 (E_RNA)
where:
Base-Base interactions energy: -93.833
where: short stacking energy: -39.539
Base-Backbone interact. energy: -0.309
local terms energy: -46.042328
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -10.696
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -5.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -136.207142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.207142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.207142 (E_RNA)
where:
Base-Base interactions energy: -95.271
where: short stacking energy: -35.862
Base-Backbone interact. energy: -0.325
local terms energy: -40.611665
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -7.236
flat angles P-C4'-P energy: -6.040
tors. eta vs tors. theta energy: -3.765
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: 6
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -105.681829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.681829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.681829 (E_RNA)
where:
Base-Base interactions energy: -60.499
where: short stacking energy: -31.346
Base-Backbone interact. energy: -0.079
local terms energy: -45.103631
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: -5.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -72.630707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.630707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.630707 (E_RNA)
where:
Base-Base interactions energy: -31.344
where: short stacking energy: -25.175
Base-Backbone interact. energy: 1.422
local terms energy: -42.708058
where:
bonds (distance) C4'-P energy: -8.243
bonds (distance) P-C4' energy: -12.028
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -67.710525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.710525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.710525 (E_RNA)
where:
Base-Base interactions energy: -29.365
where: short stacking energy: -25.366
Base-Backbone interact. energy: -0.012
local terms energy: -38.333978
where:
bonds (distance) C4'-P energy: -7.930
bonds (distance) P-C4' energy: -9.287
flat angles C4'-P-C4' energy: -6.400
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -6.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -70.966521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.966521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.966521 (E_RNA)
where:
Base-Base interactions energy: -27.617
where: short stacking energy: -23.227
Base-Backbone interact. energy: -0.641
local terms energy: -42.708738
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -7.670
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -3.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -70.574395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.574395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.574395 (E_RNA)
where:
Base-Base interactions energy: -24.748
where: short stacking energy: -21.174
Base-Backbone interact. energy: -0.640
local terms energy: -45.186371
where:
bonds (distance) C4'-P energy: -4.563
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -7.226
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: 9
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -57.532783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.532783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.532783 (E_RNA)
where:
Base-Base interactions energy: -20.820
where: short stacking energy: -10.718
Base-Backbone interact. energy: -0.727
local terms energy: -35.986117
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -8.083
flat angles P-C4'-P energy: -4.221
tors. eta vs tors. theta energy: 0.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -72.164297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.164297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.164297 (E_RNA)
where:
Base-Base interactions energy: -31.462
where: short stacking energy: -17.363
Base-Backbone interact. energy: 0.375
local terms energy: -41.077320
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -10.354
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -6.154
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: 10, replica: 5
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -53.544488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.544488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.544488 (E_RNA)
where:
Base-Base interactions energy: -15.347
where: short stacking energy: -13.571
Base-Backbone interact. energy: -0.061
local terms energy: -38.136624
where:
bonds (distance) C4'-P energy: -8.671
bonds (distance) P-C4' energy: -9.980
flat angles C4'-P-C4' energy: -9.615
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -2.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -141.287044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.287044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.287044 (E_RNA)
where:
Base-Base interactions energy: -95.909
where: short stacking energy: -33.299
Base-Backbone interact. energy: -0.227
local terms energy: -45.151484
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -9.698
flat angles P-C4'-P energy: -5.462
tors. eta vs tors. theta energy: -7.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -139.261369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.261369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.261369 (E_RNA)
where:
Base-Base interactions energy: -97.393
where: short stacking energy: -38.414
Base-Backbone interact. energy: 1.323
local terms energy: -43.190660
where:
bonds (distance) C4'-P energy: -8.878
bonds (distance) P-C4' energy: -7.950
flat angles C4'-P-C4' energy: -8.544
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -9.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -105.928241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.928241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.928241 (E_RNA)
where:
Base-Base interactions energy: -63.607
where: short stacking energy: -34.655
Base-Backbone interact. energy: 0.447
local terms energy: -42.768353
where:
bonds (distance) C4'-P energy: -8.385
bonds (distance) P-C4' energy: -8.446
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -6.640
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: 4, replica: 7
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -85.049042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.049042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.049042 (E_RNA)
where:
Base-Base interactions energy: -39.091
where: short stacking energy: -13.885
Base-Backbone interact. energy: -0.237
local terms energy: -45.721120
where:
bonds (distance) C4'-P energy: -8.323
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -11.625
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -2.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -81.864219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.864219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.864219 (E_RNA)
where:
Base-Base interactions energy: -33.537
where: short stacking energy: -25.011
Base-Backbone interact. energy: -0.194
local terms energy: -48.132771
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -8.352
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -7.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -75.917415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.917415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.917415 (E_RNA)
where:
Base-Base interactions energy: -30.631
where: short stacking energy: -21.860
Base-Backbone interact. energy: -0.796
local terms energy: -44.490042
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -8.843
flat angles P-C4'-P energy: -5.204
tors. eta vs tors. theta energy: -5.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -61.073676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.073676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.073676 (E_RNA)
where:
Base-Base interactions energy: -32.274
where: short stacking energy: -17.079
Base-Backbone interact. energy: 0.329
local terms energy: -29.129085
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -9.473
flat angles C4'-P-C4' energy: -6.719
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: 5.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -62.373595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.373595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.373595 (E_RNA)
where:
Base-Base interactions energy: -21.608
where: short stacking energy: -21.608
Base-Backbone interact. energy: -0.203
local terms energy: -40.561979
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -7.496
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -2.711
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: 5
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -57.427056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.427056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.427056 (E_RNA)
where:
Base-Base interactions energy: -14.843
where: short stacking energy: -14.091
Base-Backbone interact. energy: -0.028
local terms energy: -42.556103
where:
bonds (distance) C4'-P energy: -8.058
bonds (distance) P-C4' energy: -9.538
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -3.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -68.501484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.501484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.501484 (E_RNA)
where:
Base-Base interactions energy: -30.690
where: short stacking energy: -16.411
Base-Backbone interact. energy: -0.107
local terms energy: -37.704704
where:
bonds (distance) C4'-P energy: -7.934
bonds (distance) P-C4' energy: -9.964
flat angles C4'-P-C4' energy: -9.365
flat angles P-C4'-P energy: -5.572
tors. eta vs tors. theta energy: -4.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -140.365363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.365363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.365363 (E_RNA)
where:
Base-Base interactions energy: -88.491
where: short stacking energy: -38.940
Base-Backbone interact. energy: 0.910
local terms energy: -52.784091
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -9.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -126.421023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.421023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.421023 (E_RNA)
where:
Base-Base interactions energy: -82.739
where: short stacking energy: -30.591
Base-Backbone interact. energy: -0.740
local terms energy: -42.942075
where:
bonds (distance) C4'-P energy: -8.454
bonds (distance) P-C4' energy: -10.130
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -4.529
tors. eta vs tors. theta energy: -8.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -128.367177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.367177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.367177 (E_RNA)
where:
Base-Base interactions energy: -85.381
where: short stacking energy: -33.890
Base-Backbone interact. energy: -0.056
local terms energy: -42.929418
where:
bonds (distance) C4'-P energy: -8.708
bonds (distance) P-C4' energy: -11.071
flat angles C4'-P-C4' energy: -10.626
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -5.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -107.076770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.076770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.076770 (E_RNA)
where:
Base-Base interactions energy: -59.496
where: short stacking energy: -32.139
Base-Backbone interact. energy: -0.001
local terms energy: -47.580389
where:
bonds (distance) C4'-P energy: -11.563
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -9.910
flat angles P-C4'-P energy: -4.838
tors. eta vs tors. theta energy: -8.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -75.053238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.053238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.053238 (E_RNA)
where:
Base-Base interactions energy: -28.654
where: short stacking energy: -28.654
Base-Backbone interact. energy: 0.319
local terms energy: -46.718585
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -10.858
flat angles C4'-P-C4' energy: -9.224
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -7.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -75.928624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.928624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.928624 (E_RNA)
where:
Base-Base interactions energy: -27.888
where: short stacking energy: -19.702
Base-Backbone interact. energy: -0.009
local terms energy: -48.031470
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -3.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -61.422416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.422416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.422416 (E_RNA)
where:
Base-Base interactions energy: -23.199
where: short stacking energy: -21.311
Base-Backbone interact. energy: -0.159
local terms energy: -38.064707
where:
bonds (distance) C4'-P energy: -10.524
bonds (distance) P-C4' energy: -9.633
flat angles C4'-P-C4' energy: -10.085
flat angles P-C4'-P energy: -5.594
tors. eta vs tors. theta energy: -2.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -62.136334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.136334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.136334 (E_RNA)
where:
Base-Base interactions energy: -20.775
where: short stacking energy: -7.556
Base-Backbone interact. energy: -1.049
local terms energy: -40.311655
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -11.024
flat angles C4'-P-C4' energy: -8.518
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -2.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -61.639102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.639102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.639102 (E_RNA)
where:
Base-Base interactions energy: -22.668
where: short stacking energy: -17.140
Base-Backbone interact. energy: 0.249
local terms energy: -39.219590
where:
bonds (distance) C4'-P energy: -6.411
bonds (distance) P-C4' energy: -10.158
flat angles C4'-P-C4' energy: -9.473
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -4.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -56.648250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.648250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.648250 (E_RNA)
where:
Base-Base interactions energy: -19.054
where: short stacking energy: -16.257
Base-Backbone interact. energy: -1.401
local terms energy: -36.193031
where:
bonds (distance) C4'-P energy: -9.685
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -2.445
tors. eta vs tors. theta energy: 0.424
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: 1, replica: 8
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -143.319592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.319592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.319592 (E_RNA)
where:
Base-Base interactions energy: -94.052
where: short stacking energy: -34.752
Base-Backbone interact. energy: -0.328
local terms energy: -48.939909
where:
bonds (distance) C4'-P energy: -9.159
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -5.898
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: 6
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -129.996195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.996195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.996195 (E_RNA)
where:
Base-Base interactions energy: -82.252
where: short stacking energy: -39.876
Base-Backbone interact. energy: -0.132
local terms energy: -47.612675
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -9.802
flat angles C4'-P-C4' energy: -10.553
flat angles P-C4'-P energy: -4.512
tors. eta vs tors. theta energy: -12.593
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: 2
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -97.029893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.029893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.029893 (E_RNA)
where:
Base-Base interactions energy: -58.922
where: short stacking energy: -25.052
Base-Backbone interact. energy: -0.311
local terms energy: -37.797249
where:
bonds (distance) C4'-P energy: -7.569
bonds (distance) P-C4' energy: -6.305
flat angles C4'-P-C4' energy: -9.331
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -5.958
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: 3
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -134.432721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.432721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.432721 (E_RNA)
where:
Base-Base interactions energy: -84.554
where: short stacking energy: -34.353
Base-Backbone interact. energy: -0.474
local terms energy: -49.404850
where:
bonds (distance) C4'-P energy: -9.337
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -5.473
tors. eta vs tors. theta energy: -9.911
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: 5, replica: 9
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -85.625877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.625877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.625877 (E_RNA)
where:
Base-Base interactions energy: -46.003
where: short stacking energy: -26.426
Base-Backbone interact. energy: -0.010
local terms energy: -39.613367
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -9.671
flat angles C4'-P-C4' energy: -9.221
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -3.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -87.372062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.372062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.372062 (E_RNA)
where:
Base-Base interactions energy: -34.707
where: short stacking energy: -28.877
Base-Backbone interact. energy: -0.010
local terms energy: -52.655118
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -9.898
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -10.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -67.625860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.625860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.625860 (E_RNA)
where:
Base-Base interactions energy: -27.412
where: short stacking energy: -27.412
Base-Backbone interact. energy: 0.194
local terms energy: -40.408045
where:
bonds (distance) C4'-P energy: -6.874
bonds (distance) P-C4' energy: -10.035
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -3.451
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: 5
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -68.101286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.101286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.101286 (E_RNA)
where:
Base-Base interactions energy: -28.772
where: short stacking energy: -7.892
Base-Backbone interact. energy: -1.208
local terms energy: -38.121380
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -10.304
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: 3.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -66.018359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.018359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.018359 (E_RNA)
where:
Base-Base interactions energy: -29.271
where: short stacking energy: -18.402
Base-Backbone interact. energy: -0.151
local terms energy: -36.596099
where:
bonds (distance) C4'-P energy: -8.447
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -3.797
tors. eta vs tors. theta energy: -0.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -55.439361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.439361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.439361 (E_RNA)
where:
Base-Base interactions energy: -20.852
where: short stacking energy: -15.979
Base-Backbone interact. energy: -0.209
local terms energy: -34.378193
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -5.835
flat angles C4'-P-C4' energy: -9.110
flat angles P-C4'-P energy: -5.970
tors. eta vs tors. theta energy: -1.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -141.138770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.138770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.138770 (E_RNA)
where:
Base-Base interactions energy: -91.667
where: short stacking energy: -38.880
Base-Backbone interact. energy: -0.326
local terms energy: -49.146052
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -3.882
tors. eta vs tors. theta energy: -7.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -119.065401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.065401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.065401 (E_RNA)
where:
Base-Base interactions energy: -69.553
where: short stacking energy: -25.203
Base-Backbone interact. energy: -0.095
local terms energy: -49.417175
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -9.440
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -5.877
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: 2
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -113.062348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.062348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.062348 (E_RNA)
where:
Base-Base interactions energy: -58.414
where: short stacking energy: -31.064
Base-Backbone interact. energy: -0.543
local terms energy: -54.104827
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -7.768
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -11.769
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: 9
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -89.352687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.352687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.352687 (E_RNA)
where:
Base-Base interactions energy: -46.028
where: short stacking energy: -34.819
Base-Backbone interact. energy: -0.019
local terms energy: -43.305777
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -10.688
flat angles C4'-P-C4' energy: -9.382
flat angles P-C4'-P energy: -2.876
tors. eta vs tors. theta energy: -9.354
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: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -82.170170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.170170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.170170 (E_RNA)
where:
Base-Base interactions energy: -41.364
where: short stacking energy: -25.684
Base-Backbone interact. energy: -0.018
local terms energy: -40.787789
where:
bonds (distance) C4'-P energy: -10.665
bonds (distance) P-C4' energy: -8.883
flat angles C4'-P-C4' energy: -7.354
flat angles P-C4'-P energy: -4.785
tors. eta vs tors. theta energy: -9.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -74.261820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.261820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.261820 (E_RNA)
where:
Base-Base interactions energy: -26.698
where: short stacking energy: -25.279
Base-Backbone interact. energy: -0.001
local terms energy: -47.562293
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -9.843
flat angles P-C4'-P energy: -6.929
tors. eta vs tors. theta energy: -7.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -62.135521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.135521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.135521 (E_RNA)
where:
Base-Base interactions energy: -23.384
where: short stacking energy: -22.788
Base-Backbone interact. energy: -0.055
local terms energy: -38.696161
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -8.337
flat angles C4'-P-C4' energy: -8.822
flat angles P-C4'-P energy: -6.527
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: 10
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -66.033821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.033821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.033821 (E_RNA)
where:
Base-Base interactions energy: -24.965
where: short stacking energy: -10.581
Base-Backbone interact. energy: -0.350
local terms energy: -40.719341
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -8.370
flat angles P-C4'-P energy: -4.469
tors. eta vs tors. theta energy: -3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -54.719781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.719781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.719781 (E_RNA)
where:
Base-Base interactions energy: -17.614
where: short stacking energy: -14.740
Base-Backbone interact. energy: 0.692
local terms energy: -37.797727
where:
bonds (distance) C4'-P energy: -9.448
bonds (distance) P-C4' energy: -10.447
flat angles C4'-P-C4' energy: -9.824
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -0.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -53.921013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.921013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.921013 (E_RNA)
where:
Base-Base interactions energy: -23.088
where: short stacking energy: -11.866
Base-Backbone interact. energy: -0.097
local terms energy: -30.735906
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -6.604
flat angles C4'-P-C4' energy: -6.395
flat angles P-C4'-P energy: -2.851
tors. eta vs tors. theta energy: -5.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -151.969517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.969517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.969517 (E_RNA)
where:
Base-Base interactions energy: -100.319
where: short stacking energy: -42.796
Base-Backbone interact. energy: -0.402
local terms energy: -51.248511
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -6.935
tors. eta vs tors. theta energy: -7.497
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: 6
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -130.708235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.708235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.708235 (E_RNA)
where:
Base-Base interactions energy: -86.943
where: short stacking energy: -39.707
Base-Backbone interact. energy: -0.693
local terms energy: -43.072352
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -11.364
flat angles C4'-P-C4' energy: -8.503
flat angles P-C4'-P energy: -7.193
tors. eta vs tors. theta energy: -4.449
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: 2
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -107.801619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.801619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.801619 (E_RNA)
where:
Base-Base interactions energy: -64.356
where: short stacking energy: -21.338
Base-Backbone interact. energy: -0.101
local terms energy: -43.345526
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -8.752
flat angles P-C4'-P energy: -2.807
tors. eta vs tors. theta energy: -6.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -89.845368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.845368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.845368 (E_RNA)
where:
Base-Base interactions energy: -48.644
where: short stacking energy: -24.420
Base-Backbone interact. energy: -0.045
local terms energy: -41.156614
where:
bonds (distance) C4'-P energy: -8.745
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -5.907
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: 5, replica: 4
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -68.756462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.756462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.756462 (E_RNA)
where:
Base-Base interactions energy: -28.873
where: short stacking energy: -28.873
Base-Backbone interact. energy: -0.107
local terms energy: -39.777021
where:
bonds (distance) C4'-P energy: -6.879
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: -2.501
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: 3
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -63.829747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.829747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.829747 (E_RNA)
where:
Base-Base interactions energy: -18.604
where: short stacking energy: -18.604
Base-Backbone interact. energy: -0.017
local terms energy: -45.208572
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -11.393
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -3.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -58.084312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.084312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.084312 (E_RNA)
where:
Base-Base interactions energy: -26.471
where: short stacking energy: -22.599
Base-Backbone interact. energy: -0.061
local terms energy: -31.552608
where:
bonds (distance) C4'-P energy: -6.419
bonds (distance) P-C4' energy: -9.901
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -5.078
tors. eta vs tors. theta energy: 0.134
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: 8, replica: 10
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -53.974482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.974482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.974482 (E_RNA)
where:
Base-Base interactions energy: -14.072
where: short stacking energy: -14.072
Base-Backbone interact. energy: 0.676
local terms energy: -40.578675
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -5.132
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -2.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -63.360044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.360044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.360044 (E_RNA)
where:
Base-Base interactions energy: -29.797
where: short stacking energy: -19.920
Base-Backbone interact. energy: -0.073
local terms energy: -33.490307
where:
bonds (distance) C4'-P energy: -5.653
bonds (distance) P-C4' energy: -11.603
flat angles C4'-P-C4' energy: -8.525
flat angles P-C4'-P energy: -4.630
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: 10, replica: 5
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -56.506390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.506390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.506390 (E_RNA)
where:
Base-Base interactions energy: -22.184
where: short stacking energy: -18.268
Base-Backbone interact. energy: -0.291
local terms energy: -34.032302
where:
bonds (distance) C4'-P energy: -9.333
bonds (distance) P-C4' energy: -9.673
flat angles C4'-P-C4' energy: -4.774
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -3.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -140.889605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.889605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.889605 (E_RNA)
where:
Base-Base interactions energy: -88.458
where: short stacking energy: -30.800
Base-Backbone interact. energy: -0.858
local terms energy: -51.573712
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -8.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -85.839336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.839336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.839336 (E_RNA)
where:
Base-Base interactions energy: -45.582
where: short stacking energy: -24.836
Base-Backbone interact. energy: -0.332
local terms energy: -39.925514
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -9.054
flat angles C4'-P-C4' energy: -9.479
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: -2.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -119.877787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.877787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.877787 (E_RNA)
where:
Base-Base interactions energy: -75.401
where: short stacking energy: -28.219
Base-Backbone interact. energy: -0.318
local terms energy: -44.158603
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -10.208
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -2.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -81.233427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.233427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.233427 (E_RNA)
where:
Base-Base interactions energy: -38.238
where: short stacking energy: -22.108
Base-Backbone interact. energy: -0.003
local terms energy: -42.992268
where:
bonds (distance) C4'-P energy: -9.400
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -10.402
flat angles P-C4'-P energy: -4.479
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: 5, replica: 4
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -70.462196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.462196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.462196 (E_RNA)
where:
Base-Base interactions energy: -37.230
where: short stacking energy: -17.908
Base-Backbone interact. energy: -0.027
local terms energy: -33.205604
where:
bonds (distance) C4'-P energy: -10.094
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -8.318
flat angles P-C4'-P energy: 4.765
tors. eta vs tors. theta energy: -5.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -68.303203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.303203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.303203 (E_RNA)
where:
Base-Base interactions energy: -22.738
where: short stacking energy: -17.513
Base-Backbone interact. energy: -0.586
local terms energy: -44.979164
where:
bonds (distance) C4'-P energy: -8.406
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -7.299
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -7.047
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: 239
Temperature: 1.200000
Total energy: -64.896399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.896399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.896399 (E_RNA)
where:
Base-Base interactions energy: -22.704
where: short stacking energy: -23.404
Base-Backbone interact. energy: -0.068
local terms energy: -42.125070
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -10.469
flat angles C4'-P-C4' energy: -10.107
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -5.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -61.906642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.906642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.906642 (E_RNA)
where:
Base-Base interactions energy: -21.900
where: short stacking energy: -15.660
Base-Backbone interact. energy: -0.053
local terms energy: -39.953759
where:
bonds (distance) C4'-P energy: -9.469
bonds (distance) P-C4' energy: -10.831
flat angles C4'-P-C4' energy: -9.352
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -2.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -67.587217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.587217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.587217 (E_RNA)
where:
Base-Base interactions energy: -29.751
where: short stacking energy: -28.642
Base-Backbone interact. energy: -0.002
local terms energy: -37.834610
where:
bonds (distance) C4'-P energy: -9.060
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -10.084
flat angles P-C4'-P energy: 2.767
tors. eta vs tors. theta energy: -9.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -57.455678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.455678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.455678 (E_RNA)
where:
Base-Base interactions energy: -19.607
where: short stacking energy: -17.293
Base-Backbone interact. energy: -0.040
local terms energy: -37.808441
where:
bonds (distance) C4'-P energy: -5.697
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -4.709
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -5.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -135.713016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.713016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.713016 (E_RNA)
where:
Base-Base interactions energy: -85.813
where: short stacking energy: -35.292
Base-Backbone interact. energy: -1.185
local terms energy: -48.714574
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -9.331
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -103.359383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.359383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.359383 (E_RNA)
where:
Base-Base interactions energy: -58.576
where: short stacking energy: -31.446
Base-Backbone interact. energy: -0.009
local terms energy: -44.774531
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -4.912
tors. eta vs tors. theta energy: -6.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -136.384115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.384115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.384115 (E_RNA)
where:
Base-Base interactions energy: -89.595
where: short stacking energy: -23.372
Base-Backbone interact. energy: -0.640
local terms energy: -46.149338
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -9.538
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -6.054
tors. eta vs tors. theta energy: -6.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -97.895289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.895289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.895289 (E_RNA)
where:
Base-Base interactions energy: -52.201
where: short stacking energy: -33.767
Base-Backbone interact. energy: -0.208
local terms energy: -45.486443
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -11.861
flat angles C4'-P-C4' energy: -8.730
flat angles P-C4'-P energy: -4.418
tors. eta vs tors. theta energy: -9.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -66.145533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.145533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.145533 (E_RNA)
where:
Base-Base interactions energy: -24.690
where: short stacking energy: -16.768
Base-Backbone interact. energy: -0.021
local terms energy: -41.433785
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -6.926
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -4.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -67.261034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.261034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.261034 (E_RNA)
where:
Base-Base interactions energy: -26.452
where: short stacking energy: -22.115
Base-Backbone interact. energy: -0.091
local terms energy: -40.718312
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -5.224
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -3.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -67.098715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.098715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.098715 (E_RNA)
where:
Base-Base interactions energy: -25.130
where: short stacking energy: -18.666
Base-Backbone interact. energy: -0.005
local terms energy: -41.964201
where:
bonds (distance) C4'-P energy: -8.993
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -9.534
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -3.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -62.440072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.440072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.440072 (E_RNA)
where:
Base-Base interactions energy: -29.738
where: short stacking energy: -19.195
Base-Backbone interact. energy: -0.745
local terms energy: -31.956675
where:
bonds (distance) C4'-P energy: -8.736
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -7.800
flat angles P-C4'-P energy: -2.082
tors. eta vs tors. theta energy: -0.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -52.845166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.845166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.845166 (E_RNA)
where:
Base-Base interactions energy: -14.366
where: short stacking energy: -6.954
Base-Backbone interact. energy: -1.043
local terms energy: -37.437102
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -8.573
flat angles P-C4'-P energy: -4.649
tors. eta vs tors. theta energy: -0.501
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: 10
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -55.637738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.637738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.637738 (E_RNA)
where:
Base-Base interactions energy: -24.677
where: short stacking energy: -14.104
Base-Backbone interact. energy: -0.057
local terms energy: -30.903549
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -10.370
flat angles C4'-P-C4' energy: -5.287
flat angles P-C4'-P energy: -6.711
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: 8
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -142.202733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.202733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.202733 (E_RNA)
where:
Base-Base interactions energy: -96.631
where: short stacking energy: -36.650
Base-Backbone interact. energy: -0.129
local terms energy: -45.442486
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -9.004
flat angles P-C4'-P energy: -5.200
tors. eta vs tors. theta energy: -6.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -139.855336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.855336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.855336 (E_RNA)
where:
Base-Base interactions energy: -99.137
where: short stacking energy: -27.544
Base-Backbone interact. energy: 0.946
local terms energy: -41.664406
where:
bonds (distance) C4'-P energy: -7.859
bonds (distance) P-C4' energy: -11.295
flat angles C4'-P-C4' energy: -9.248
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -4.779
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: 2
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -111.534005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.534005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.534005 (E_RNA)
where:
Base-Base interactions energy: -64.763
where: short stacking energy: -38.271
Base-Backbone interact. energy: 0.602
local terms energy: -47.373002
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -8.274
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -9.304
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: 4, replica: 9
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -78.233012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.233012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.233012 (E_RNA)
where:
Base-Base interactions energy: -34.339
where: short stacking energy: -30.914
Base-Backbone interact. energy: -0.100
local terms energy: -43.794010
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -8.272
flat angles P-C4'-P energy: -5.354
tors. eta vs tors. theta energy: -7.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -81.085827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.085827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.085827 (E_RNA)
where:
Base-Base interactions energy: -45.659
where: short stacking energy: -12.613
Base-Backbone interact. energy: -0.102
local terms energy: -35.324092
where:
bonds (distance) C4'-P energy: -6.327
bonds (distance) P-C4' energy: -7.642
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: 0.257
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: 1
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -74.412583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.412583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.412583 (E_RNA)
where:
Base-Base interactions energy: -42.499
where: short stacking energy: -23.116
Base-Backbone interact. energy: -0.044
local terms energy: -31.868966
where:
bonds (distance) C4'-P energy: -9.540
bonds (distance) P-C4' energy: -10.150
flat angles C4'-P-C4' energy: -6.958
flat angles P-C4'-P energy: -5.608
tors. eta vs tors. theta energy: 0.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -63.040051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.040051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.040051 (E_RNA)
where:
Base-Base interactions energy: -19.551
where: short stacking energy: -13.790
Base-Backbone interact. energy: -0.020
local terms energy: -43.469108
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -11.665
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -1.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -56.801797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.801797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.801797 (E_RNA)
where:
Base-Base interactions energy: -25.209
where: short stacking energy: -12.129
Base-Backbone interact. energy: -0.187
local terms energy: -31.405792
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -8.734
flat angles C4'-P-C4' energy: -5.067
flat angles P-C4'-P energy: -8.296
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: 9, replica: 3
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -66.403561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.403561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.403561 (E_RNA)
where:
Base-Base interactions energy: -32.665
where: short stacking energy: -15.991
Base-Backbone interact. energy: 0.811
local terms energy: -34.549640
where:
bonds (distance) C4'-P energy: -9.486
bonds (distance) P-C4' energy: -8.881
flat angles C4'-P-C4' energy: -8.943
flat angles P-C4'-P energy: -1.702
tors. eta vs tors. theta energy: -5.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -66.707108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.707108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.707108 (E_RNA)
where:
Base-Base interactions energy: -30.727
where: short stacking energy: -18.003
Base-Backbone interact. energy: -0.440
local terms energy: -35.540861
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -10.913
flat angles C4'-P-C4' energy: -7.624
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: 3.736
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: 6
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -130.791795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.791795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.791795 (E_RNA)
where:
Base-Base interactions energy: -85.314
where: short stacking energy: -36.055
Base-Backbone interact. energy: -0.259
local terms energy: -45.219173
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -9.650
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -6.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -138.666538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.666538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.666538 (E_RNA)
where:
Base-Base interactions energy: -90.178
where: short stacking energy: -30.952
Base-Backbone interact. energy: 1.376
local terms energy: -49.865494
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -10.437
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -6.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -83.202384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.202384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.202384 (E_RNA)
where:
Base-Base interactions energy: -42.997
where: short stacking energy: -24.811
Base-Backbone interact. energy: -0.002
local terms energy: -40.203361
where:
bonds (distance) C4'-P energy: -8.846
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -8.280
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -4.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -96.007359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.007359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.007359 (E_RNA)
where:
Base-Base interactions energy: -49.548
where: short stacking energy: -26.676
Base-Backbone interact. energy: -0.176
local terms energy: -46.283896
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -8.646
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -5.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -78.726414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.726414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.726414 (E_RNA)
where:
Base-Base interactions energy: -33.265
where: short stacking energy: -30.591
Base-Backbone interact. energy: -0.037
local terms energy: -45.424553
where:
bonds (distance) C4'-P energy: -8.090
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -10.202
flat angles P-C4'-P energy: -6.409
tors. eta vs tors. theta energy: -8.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -65.684148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.684148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.684148 (E_RNA)
where:
Base-Base interactions energy: -24.822
where: short stacking energy: -13.943
Base-Backbone interact. energy: -0.383
local terms energy: -40.479598
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -8.816
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: -1.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -81.467349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.467349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.467349 (E_RNA)
where:
Base-Base interactions energy: -45.558
where: short stacking energy: -25.892
Base-Backbone interact. energy: -0.018
local terms energy: -35.891592
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -8.951
flat angles C4'-P-C4' energy: -4.786
flat angles P-C4'-P energy: -6.407
tors. eta vs tors. theta energy: -5.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -61.039797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.039797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.039797 (E_RNA)
where:
Base-Base interactions energy: -28.212
where: short stacking energy: -18.449
Base-Backbone interact. energy: -0.028
local terms energy: -32.800573
where:
bonds (distance) C4'-P energy: -8.964
bonds (distance) P-C4' energy: -10.391
flat angles C4'-P-C4' energy: -3.669
flat angles P-C4'-P energy: -5.443
tors. eta vs tors. theta energy: -4.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -54.064457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.064457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.064457 (E_RNA)
where:
Base-Base interactions energy: -22.325
where: short stacking energy: -12.033
Base-Backbone interact. energy: 0.678
local terms energy: -32.417364
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -7.666
flat angles C4'-P-C4' energy: -7.992
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: 1.613
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: 3
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -62.387625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.387625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.387625 (E_RNA)
where:
Base-Base interactions energy: -24.001
where: short stacking energy: -19.184
Base-Backbone interact. energy: -0.027
local terms energy: -38.359558
where:
bonds (distance) C4'-P energy: -8.704
bonds (distance) P-C4' energy: -11.357
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -3.250
tors. eta vs tors. theta energy: -3.221
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: 6
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -136.770785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.770785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.770785 (E_RNA)
where:
Base-Base interactions energy: -89.214
where: short stacking energy: -34.049
Base-Backbone interact. energy: -0.573
local terms energy: -46.984380
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -9.822
flat angles C4'-P-C4' energy: -9.907
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -7.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -134.290023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.290023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.290023 (E_RNA)
where:
Base-Base interactions energy: -86.537
where: short stacking energy: -29.339
Base-Backbone interact. energy: -0.260
local terms energy: -47.493696
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -4.922
tors. eta vs tors. theta energy: -8.424
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: 9
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -93.392694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.392694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.392694 (E_RNA)
where:
Base-Base interactions energy: -40.294
where: short stacking energy: -32.314
Base-Backbone interact. energy: -0.003
local terms energy: -53.095579
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -10.664
flat angles P-C4'-P energy: -6.738
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: 4, replica: 1
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -75.227469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.227469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.227469 (E_RNA)
where:
Base-Base interactions energy: -32.804
where: short stacking energy: -25.342
Base-Backbone interact. energy: -0.153
local terms energy: -42.270621
where:
bonds (distance) C4'-P energy: -9.814
bonds (distance) P-C4' energy: -9.679
flat angles C4'-P-C4' energy: -11.714
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -4.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -68.555172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.555172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.555172 (E_RNA)
where:
Base-Base interactions energy: -26.787
where: short stacking energy: -21.572
Base-Backbone interact. energy: -0.238
local terms energy: -41.530198
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -9.878
flat angles P-C4'-P energy: -4.654
tors. eta vs tors. theta energy: -3.403
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: 6, replica: 5
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -56.904174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.904174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.904174 (E_RNA)
where:
Base-Base interactions energy: -14.030
where: short stacking energy: -14.030
Base-Backbone interact. energy: -0.214
local terms energy: -42.660281
where:
bonds (distance) C4'-P energy: -8.579
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -10.794
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -1.701
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: 4
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -65.773995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.773995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.773995 (E_RNA)
where:
Base-Base interactions energy: -30.696
where: short stacking energy: -20.061
Base-Backbone interact. energy: -0.098
local terms energy: -34.979780
where:
bonds (distance) C4'-P energy: -7.464
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -8.401
flat angles P-C4'-P energy: -8.830
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: 10
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -58.175415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.175415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.175415 (E_RNA)
where:
Base-Base interactions energy: -17.113
where: short stacking energy: -14.954
Base-Backbone interact. energy: -0.770
local terms energy: -40.292609
where:
bonds (distance) C4'-P energy: -9.334
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -4.830
tors. eta vs tors. theta energy: -2.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -61.134665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.134665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.134665 (E_RNA)
where:
Base-Base interactions energy: -22.734
where: short stacking energy: -20.464
Base-Backbone interact. energy: -0.226
local terms energy: -38.174443
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -8.282
flat angles C4'-P-C4' energy: -9.897
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -0.518
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: 10, replica: 3
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -68.256019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.256019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.256019 (E_RNA)
where:
Base-Base interactions energy: -25.464
where: short stacking energy: -25.464
Base-Backbone interact. energy: -0.402
local terms energy: -42.390062
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -9.210
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -5.180
tors. eta vs tors. theta energy: -5.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -141.942594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.942594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.942594 (E_RNA)
where:
Base-Base interactions energy: -92.655
where: short stacking energy: -33.884
Base-Backbone interact. energy: -2.386
local terms energy: -46.902012
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -10.140
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: -8.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -124.697694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.697694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.697694 (E_RNA)
where:
Base-Base interactions energy: -76.146
where: short stacking energy: -36.731
Base-Backbone interact. energy: -1.774
local terms energy: -46.777300
where:
bonds (distance) C4'-P energy: -10.363
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -9.370
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -5.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -84.479603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.479603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.479603 (E_RNA)
where:
Base-Base interactions energy: -38.568
where: short stacking energy: -27.808
Base-Backbone interact. energy: -0.208
local terms energy: -45.704305
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -7.385
flat angles C4'-P-C4' energy: -10.932
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -8.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -82.025002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.025002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.025002 (E_RNA)
where:
Base-Base interactions energy: -30.423
where: short stacking energy: -20.481
Base-Backbone interact. energy: -0.062
local terms energy: -51.540206
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -13.516
flat angles C4'-P-C4' energy: -10.160
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -7.602
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: 5
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -69.150760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.150760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.150760 (E_RNA)
where:
Base-Base interactions energy: -28.968
where: short stacking energy: -18.321
Base-Backbone interact. energy: -0.032
local terms energy: -40.150877
where:
bonds (distance) C4'-P energy: -8.769
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -4.513
tors. eta vs tors. theta energy: -2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -62.869050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.869050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.869050 (E_RNA)
where:
Base-Base interactions energy: -26.610
where: short stacking energy: -23.451
Base-Backbone interact. energy: 0.526
local terms energy: -36.785685
where:
bonds (distance) C4'-P energy: -9.879
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -9.869
flat angles P-C4'-P energy: -3.117
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: 7, replica: 10
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -60.908695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.908695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.908695 (E_RNA)
where:
Base-Base interactions energy: -25.481
where: short stacking energy: -22.024
Base-Backbone interact. energy: -0.127
local terms energy: -35.301059
where:
bonds (distance) C4'-P energy: -8.551
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -2.718
tors. eta vs tors. theta energy: -1.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -57.482942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.482942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.482942 (E_RNA)
where:
Base-Base interactions energy: -23.782
where: short stacking energy: -11.608
Base-Backbone interact. energy: 0.792
local terms energy: -34.492841
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -5.913
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: 1.003
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: 9, replica: 3
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -55.699455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.699455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.699455 (E_RNA)
where:
Base-Base interactions energy: -18.033
where: short stacking energy: -18.033
Base-Backbone interact. energy: -0.015
local terms energy: -37.651926
where:
bonds (distance) C4'-P energy: -6.939
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -7.526
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: -3.657
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: 7
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -55.394695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.394695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.394695 (E_RNA)
where:
Base-Base interactions energy: -12.318
where: short stacking energy: -12.240
Base-Backbone interact. energy: -0.314
local terms energy: -42.762757
where:
bonds (distance) C4'-P energy: -11.046
bonds (distance) P-C4' energy: -10.881
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: 0.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -142.573104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.573104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.573104 (E_RNA)
where:
Base-Base interactions energy: -92.624
where: short stacking energy: -37.483
Base-Backbone interact. energy: -0.405
local terms energy: -49.543906
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -10.532
flat angles C4'-P-C4' energy: -10.749
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -8.198
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: 1
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -84.011184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.011184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.011184 (E_RNA)
where:
Base-Base interactions energy: -34.932
where: short stacking energy: -30.279
Base-Backbone interact. energy: -0.007
local terms energy: -49.072408
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -10.975
flat angles C4'-P-C4' energy: -9.108
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -9.059
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: 245
Temperature: 1.000000
Total energy: -87.527972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.527972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.527972 (E_RNA)
where:
Base-Base interactions energy: -48.381
where: short stacking energy: -27.182
Base-Backbone interact. energy: -0.613
local terms energy: -38.534267
where:
bonds (distance) C4'-P energy: -7.552
bonds (distance) P-C4' energy: -10.155
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -5.671
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: 4, replica: 9
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -78.489826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.489826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.489826 (E_RNA)
where:
Base-Base interactions energy: -34.730
where: short stacking energy: -34.730
Base-Backbone interact. energy: -0.004
local terms energy: -43.756000
where:
bonds (distance) C4'-P energy: -7.354
bonds (distance) P-C4' energy: -9.970
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: -5.284
tors. eta vs tors. theta energy: -9.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -84.729438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.729438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.729438 (E_RNA)
where:
Base-Base interactions energy: -40.576
where: short stacking energy: -30.080
Base-Backbone interact. energy: -0.004
local terms energy: -44.149476
where:
bonds (distance) C4'-P energy: -9.163
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -9.663
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -5.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -57.247740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.247740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.247740 (E_RNA)
where:
Base-Base interactions energy: -17.821
where: short stacking energy: -17.331
Base-Backbone interact. energy: -0.143
local terms energy: -39.284184
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -7.761
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: -2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -72.592692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.592692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.592692 (E_RNA)
where:
Base-Base interactions energy: -35.422
where: short stacking energy: -21.455
Base-Backbone interact. energy: -0.006
local terms energy: -37.165351
where:
bonds (distance) C4'-P energy: -9.324
bonds (distance) P-C4' energy: -10.346
flat angles C4'-P-C4' energy: -10.876
flat angles P-C4'-P energy: -2.992
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: 245
Temperature: 1.250000
Total energy: -59.405044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.405044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.405044 (E_RNA)
where:
Base-Base interactions energy: -26.897
where: short stacking energy: -17.062
Base-Backbone interact. energy: -0.032
local terms energy: -32.476767
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -5.906
flat angles C4'-P-C4' energy: -9.880
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: 3.619
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: 4
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -56.140762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.140762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.140762 (E_RNA)
where:
Base-Base interactions energy: -12.698
where: short stacking energy: -9.660
Base-Backbone interact. energy: -0.104
local terms energy: -43.338542
where:
bonds (distance) C4'-P energy: -9.033
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -2.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -55.087525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.087525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.087525 (E_RNA)
where:
Base-Base interactions energy: -18.427
where: short stacking energy: -14.973
Base-Backbone interact. energy: -0.034
local terms energy: -36.625985
where:
bonds (distance) C4'-P energy: -9.034
bonds (distance) P-C4' energy: -7.973
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -4.359
tors. eta vs tors. theta energy: -3.701
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: 6
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -138.200156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.200156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.200156 (E_RNA)
where:
Base-Base interactions energy: -92.199
where: short stacking energy: -31.145
Base-Backbone interact. energy: -0.655
local terms energy: -45.345993
where:
bonds (distance) C4'-P energy: -9.424
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -11.429
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: -7.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -89.012808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.012808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.012808 (E_RNA)
where:
Base-Base interactions energy: -40.824
where: short stacking energy: -40.824
Base-Backbone interact. energy: -0.029
local terms energy: -48.159344
where:
bonds (distance) C4'-P energy: -8.935
bonds (distance) P-C4' energy: -9.807
flat angles C4'-P-C4' energy: -9.747
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -10.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -75.648456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.648456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.648456 (E_RNA)
where:
Base-Base interactions energy: -28.113
where: short stacking energy: -25.420
Base-Backbone interact. energy: -0.050
local terms energy: -47.486239
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -8.267
flat angles C4'-P-C4' energy: -11.762
flat angles P-C4'-P energy: -8.692
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: 4, replica: 8
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -83.422748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.422748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.422748 (E_RNA)
where:
Base-Base interactions energy: -42.189
where: short stacking energy: -20.955
Base-Backbone interact. energy: -0.189
local terms energy: -41.044068
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -9.869
flat angles C4'-P-C4' energy: -8.137
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -4.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -79.799617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.799617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.799617 (E_RNA)
where:
Base-Base interactions energy: -34.777
where: short stacking energy: -22.191
Base-Backbone interact. energy: 0.405
local terms energy: -45.427843
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -10.947
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -5.884
tors. eta vs tors. theta energy: -4.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -61.719453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.719453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.719453 (E_RNA)
where:
Base-Base interactions energy: -24.020
where: short stacking energy: -13.436
Base-Backbone interact. energy: -0.043
local terms energy: -37.657157
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -8.806
flat angles P-C4'-P energy: -5.097
tors. eta vs tors. theta energy: -0.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -64.422842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.422842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.422842 (E_RNA)
where:
Base-Base interactions energy: -23.460
where: short stacking energy: -23.460
Base-Backbone interact. energy: -0.004
local terms energy: -40.958970
where:
bonds (distance) C4'-P energy: -8.463
bonds (distance) P-C4' energy: -10.486
flat angles C4'-P-C4' energy: -9.736
flat angles P-C4'-P energy: -5.315
tors. eta vs tors. theta energy: -6.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -63.500970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.500970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.500970 (E_RNA)
where:
Base-Base interactions energy: -27.915
where: short stacking energy: -22.329
Base-Backbone interact. energy: -0.877
local terms energy: -34.708800
where:
bonds (distance) C4'-P energy: -7.578
bonds (distance) P-C4' energy: -11.358
flat angles C4'-P-C4' energy: -6.585
flat angles P-C4'-P energy: -5.597
tors. eta vs tors. theta energy: -3.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -59.382006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.382006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.382006 (E_RNA)
where:
Base-Base interactions energy: -25.081
where: short stacking energy: -17.439
Base-Backbone interact. energy: -0.003
local terms energy: -34.298179
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -9.809
flat angles C4'-P-C4' energy: -8.626
flat angles P-C4'-P energy: -3.659
tors. eta vs tors. theta energy: -1.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -53.494797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.494797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.494797 (E_RNA)
where:
Base-Base interactions energy: -21.624
where: short stacking energy: -17.723
Base-Backbone interact. energy: -1.076
local terms energy: -30.794197
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -8.526
flat angles C4'-P-C4' energy: -8.430
flat angles P-C4'-P energy: -4.512
tors. eta vs tors. theta energy: 1.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -134.202719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.202719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.202719 (E_RNA)
where:
Base-Base interactions energy: -91.770
where: short stacking energy: -31.598
Base-Backbone interact. energy: -0.434
local terms energy: -41.998933
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -9.761
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -3.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -91.373215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.373215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.373215 (E_RNA)
where:
Base-Base interactions energy: -51.150
where: short stacking energy: -19.110
Base-Backbone interact. energy: -1.299
local terms energy: -38.924753
where:
bonds (distance) C4'-P energy: -9.337
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -9.754
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: -1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -90.247048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.247048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.247048 (E_RNA)
where:
Base-Base interactions energy: -43.823
where: short stacking energy: -30.870
Base-Backbone interact. energy: -0.169
local terms energy: -46.255176
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -8.779
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -9.343
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: 4, replica: 5
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -82.819063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.819063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.819063 (E_RNA)
where:
Base-Base interactions energy: -39.764
where: short stacking energy: -31.028
Base-Backbone interact. energy: -0.679
local terms energy: -42.376814
where:
bonds (distance) C4'-P energy: -11.393
bonds (distance) P-C4' energy: -9.925
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -3.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -90.316915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.316915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.316915 (E_RNA)
where:
Base-Base interactions energy: -47.762
where: short stacking energy: -26.420
Base-Backbone interact. energy: -0.064
local terms energy: -42.490686
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -10.389
flat angles P-C4'-P energy: -1.891
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: 6, replica: 3
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -60.748972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.748972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.748972 (E_RNA)
where:
Base-Base interactions energy: -20.614
where: short stacking energy: -20.115
Base-Backbone interact. energy: -0.052
local terms energy: -40.083550
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -10.318
flat angles C4'-P-C4' energy: -10.464
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -1.628
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: 2
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -71.418474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.418474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.418474 (E_RNA)
where:
Base-Base interactions energy: -25.456
where: short stacking energy: -25.456
Base-Backbone interact. energy: -0.005
local terms energy: -45.957241
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -9.767
flat angles C4'-P-C4' energy: -9.527
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -8.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -64.566936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.566936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.566936 (E_RNA)
where:
Base-Base interactions energy: -30.016
where: short stacking energy: -20.016
Base-Backbone interact. energy: -0.223
local terms energy: -34.328658
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -8.704
flat angles C4'-P-C4' energy: -7.096
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: -1.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -53.372853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.372853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.372853 (E_RNA)
where:
Base-Base interactions energy: -21.578
where: short stacking energy: -21.578
Base-Backbone interact. energy: -0.005
local terms energy: -31.789355
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -2.795
flat angles C4'-P-C4' energy: -7.301
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -2.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -54.758204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.758204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.758204 (E_RNA)
where:
Base-Base interactions energy: -24.147
where: short stacking energy: -19.526
Base-Backbone interact. energy: -0.257
local terms energy: -30.354513
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -8.273
flat angles P-C4'-P energy: 0.370
tors. eta vs tors. theta energy: 1.009
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: 1, replica: 6
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -138.516680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.516680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.516680 (E_RNA)
where:
Base-Base interactions energy: -93.952
where: short stacking energy: -28.833
Base-Backbone interact. energy: 0.077
local terms energy: -44.642071
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -11.048
flat angles C4'-P-C4' energy: -10.490
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -4.290
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: 1
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -89.413334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.413334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.413334 (E_RNA)
where:
Base-Base interactions energy: -41.768
where: short stacking energy: -33.877
Base-Backbone interact. energy: -0.000
local terms energy: -47.645069
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -10.489
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -7.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -83.530582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.530582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.530582 (E_RNA)
where:
Base-Base interactions energy: -42.651
where: short stacking energy: -22.525
Base-Backbone interact. energy: -0.926
local terms energy: -39.953995
where:
bonds (distance) C4'-P energy: -5.681
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -9.873
flat angles P-C4'-P energy: -4.407
tors. eta vs tors. theta energy: -8.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -88.841526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.841526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.841526 (E_RNA)
where:
Base-Base interactions energy: -43.424
where: short stacking energy: -28.178
Base-Backbone interact. energy: -0.126
local terms energy: -45.292129
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -69.725546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.725546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.725546 (E_RNA)
where:
Base-Base interactions energy: -28.176
where: short stacking energy: -22.466
Base-Backbone interact. energy: -0.640
local terms energy: -40.908653
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -10.349
flat angles P-C4'-P energy: -7.924
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: 6, replica: 8
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -70.545617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.545617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.545617 (E_RNA)
where:
Base-Base interactions energy: -40.692
where: short stacking energy: -18.003
Base-Backbone interact. energy: -0.126
local terms energy: -29.727663
where:
bonds (distance) C4'-P energy: -9.370
bonds (distance) P-C4' energy: -9.489
flat angles C4'-P-C4' energy: -8.244
flat angles P-C4'-P energy: -6.539
tors. eta vs tors. theta energy: 3.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -60.453033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.453033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.453033 (E_RNA)
where:
Base-Base interactions energy: -18.741
where: short stacking energy: -18.741
Base-Backbone interact. energy: -0.128
local terms energy: -41.584169
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -6.543
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -3.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -60.810327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.810327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.810327 (E_RNA)
where:
Base-Base interactions energy: -17.803
where: short stacking energy: -17.803
Base-Backbone interact. energy: -0.000
local terms energy: -43.006747
where:
bonds (distance) C4'-P energy: -8.129
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -10.313
flat angles P-C4'-P energy: -3.617
tors. eta vs tors. theta energy: -7.658
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: 9, replica: 4
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -50.362607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.362607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.362607 (E_RNA)
where:
Base-Base interactions energy: -13.907
where: short stacking energy: -11.024
Base-Backbone interact. energy: -0.472
local terms energy: -35.984030
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -6.160
flat angles P-C4'-P energy: -4.185
tors. eta vs tors. theta energy: -2.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -51.004942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.004942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.004942 (E_RNA)
where:
Base-Base interactions energy: -25.100
where: short stacking energy: -9.897
Base-Backbone interact. energy: -0.350
local terms energy: -25.555532
where:
bonds (distance) C4'-P energy: -9.024
bonds (distance) P-C4' energy: -9.591
flat angles C4'-P-C4' energy: -6.310
flat angles P-C4'-P energy: -0.812
tors. eta vs tors. theta energy: 0.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -118.162799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.162799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.162799 (E_RNA)
where:
Base-Base interactions energy: -71.419
where: short stacking energy: -40.714
Base-Backbone interact. energy: -0.349
local terms energy: -46.394677
where:
bonds (distance) C4'-P energy: -8.008
bonds (distance) P-C4' energy: -11.116
flat angles C4'-P-C4' energy: -11.128
flat angles P-C4'-P energy: -4.160
tors. eta vs tors. theta energy: -11.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -89.961669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.961669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.961669 (E_RNA)
where:
Base-Base interactions energy: -46.102
where: short stacking energy: -34.160
Base-Backbone interact. energy: -0.005
local terms energy: -43.854443
where:
bonds (distance) C4'-P energy: -8.092
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -6.212
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -6.851
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: 3, replica: 1
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -89.662995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.662995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.662995 (E_RNA)
where:
Base-Base interactions energy: -38.337
where: short stacking energy: -26.819
Base-Backbone interact. energy: -0.121
local terms energy: -51.204636
where:
bonds (distance) C4'-P energy: -9.018
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -9.046
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: 4, replica: 3
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -80.204293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.204293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.204293 (E_RNA)
where:
Base-Base interactions energy: -36.348
where: short stacking energy: -31.096
Base-Backbone interact. energy: -0.067
local terms energy: -43.789118
where:
bonds (distance) C4'-P energy: -10.210
bonds (distance) P-C4' energy: -9.473
flat angles C4'-P-C4' energy: -8.055
flat angles P-C4'-P energy: -8.178
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: 5, replica: 9
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -93.486479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.486479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.486479 (E_RNA)
where:
Base-Base interactions energy: -48.568
where: short stacking energy: -25.616
Base-Backbone interact. energy: -0.038
local terms energy: -44.880053
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -9.810
flat angles C4'-P-C4' energy: -11.394
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -4.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -71.372379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.372379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.372379 (E_RNA)
where:
Base-Base interactions energy: -30.451
where: short stacking energy: -24.998
Base-Backbone interact. energy: -0.014
local terms energy: -40.908012
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -10.175
flat angles C4'-P-C4' energy: -7.777
flat angles P-C4'-P energy: -6.410
tors. eta vs tors. theta energy: -5.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -56.364623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.364623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.364623 (E_RNA)
where:
Base-Base interactions energy: -25.927
where: short stacking energy: -19.379
Base-Backbone interact. energy: 4.426
local terms energy: -34.863591
where:
bonds (distance) C4'-P energy: -8.000
bonds (distance) P-C4' energy: -9.374
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -4.535
tors. eta vs tors. theta energy: -0.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -60.481836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.481836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.481836 (E_RNA)
where:
Base-Base interactions energy: -21.834
where: short stacking energy: -13.569
Base-Backbone interact. energy: -0.205
local terms energy: -38.442887
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -10.472
flat angles C4'-P-C4' energy: -10.562
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: 0.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -53.292286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.292286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.292286 (E_RNA)
where:
Base-Base interactions energy: -17.437
where: short stacking energy: -7.031
Base-Backbone interact. energy: -1.137
local terms energy: -34.718695
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -5.655
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: 249
Temperature: 1.350000
Total energy: -52.743600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.743600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.743600 (E_RNA)
where:
Base-Base interactions energy: -15.330
where: short stacking energy: -15.330
Base-Backbone interact. energy: -0.936
local terms energy: -36.477412
where:
bonds (distance) C4'-P energy: -10.911
bonds (distance) P-C4' energy: -9.545
flat angles C4'-P-C4' energy: -4.945
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -1.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -115.658052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.658052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.658052 (E_RNA)
where:
Base-Base interactions energy: -73.170
where: short stacking energy: -30.971
Base-Backbone interact. energy: -0.046
local terms energy: -42.441606
where:
bonds (distance) C4'-P energy: -8.016
bonds (distance) P-C4' energy: -10.222
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -4.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -113.888890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.888890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.888890 (E_RNA)
where:
Base-Base interactions energy: -67.623
where: short stacking energy: -39.811
Base-Backbone interact. energy: -0.286
local terms energy: -45.980525
where:
bonds (distance) C4'-P energy: -7.399
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -9.343
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -8.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -84.717728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.717728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.717728 (E_RNA)
where:
Base-Base interactions energy: -33.344
where: short stacking energy: -33.344
Base-Backbone interact. energy: -0.000
local terms energy: -51.372895
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -11.747
flat angles C4'-P-C4' energy: -8.832
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -9.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -91.024397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.024397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.024397 (E_RNA)
where:
Base-Base interactions energy: -45.412
where: short stacking energy: -27.670
Base-Backbone interact. energy: -0.086
local terms energy: -45.526262
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -8.141
flat angles P-C4'-P energy: -6.543
tors. eta vs tors. theta energy: -8.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -72.662445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.662445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.662445 (E_RNA)
where:
Base-Base interactions energy: -31.734
where: short stacking energy: -15.235
Base-Backbone interact. energy: -1.420
local terms energy: -39.507829
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -9.069
flat angles C4'-P-C4' energy: -9.590
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -1.432
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: 6, replica: 2
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -85.917860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.917860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.917860 (E_RNA)
where:
Base-Base interactions energy: -47.655
where: short stacking energy: -22.073
Base-Backbone interact. energy: -0.200
local terms energy: -38.063475
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -8.628
flat angles C4'-P-C4' energy: -9.627
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: -2.037
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: 4
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -68.474688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.474688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.474688 (E_RNA)
where:
Base-Base interactions energy: -21.628
where: short stacking energy: -18.881
Base-Backbone interact. energy: -0.205
local terms energy: -46.641489
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -10.592
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -6.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -68.157719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.157719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.157719 (E_RNA)
where:
Base-Base interactions energy: -31.580
where: short stacking energy: -13.859
Base-Backbone interact. energy: -0.419
local terms energy: -36.158226
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -8.846
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: 4.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -64.275145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.275145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.275145 (E_RNA)
where:
Base-Base interactions energy: -21.530
where: short stacking energy: -16.690
Base-Backbone interact. energy: -0.035
local terms energy: -42.710575
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -10.381
flat angles C4'-P-C4' energy: -9.814
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -3.472
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: 10
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -53.371312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.371312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.371312 (E_RNA)
where:
Base-Base interactions energy: -18.875
where: short stacking energy: -15.396
Base-Backbone interact. energy: -0.002
local terms energy: -34.494049
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -9.744
flat angles C4'-P-C4' energy: -7.981
flat angles P-C4'-P energy: -3.068
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: 1, replica: 6
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -113.832587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.832587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.832587 (E_RNA)
where:
Base-Base interactions energy: -62.917
where: short stacking energy: -39.000
Base-Backbone interact. energy: -0.026
local terms energy: -50.890096
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -11.373
flat angles C4'-P-C4' energy: -10.269
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -9.804
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: 3
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -89.595175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.595175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.595175 (E_RNA)
where:
Base-Base interactions energy: -37.756
where: short stacking energy: -36.405
Base-Backbone interact. energy: -0.039
local terms energy: -51.800171
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -10.355
flat angles P-C4'-P energy: -9.211
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: 3, replica: 5
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -96.792310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.792310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.792310 (E_RNA)
where:
Base-Base interactions energy: -46.171
where: short stacking energy: -34.016
Base-Backbone interact. energy: -0.019
local terms energy: -50.602825
where:
bonds (distance) C4'-P energy: -7.478
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -11.229
flat angles P-C4'-P energy: -8.940
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: 4, replica: 9
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -66.023534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.023534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.023534 (E_RNA)
where:
Base-Base interactions energy: -28.192
where: short stacking energy: -16.458
Base-Backbone interact. energy: -0.072
local terms energy: -37.759551
where:
bonds (distance) C4'-P energy: -10.566
bonds (distance) P-C4' energy: -8.620
flat angles C4'-P-C4' energy: -9.874
flat angles P-C4'-P energy: -6.002
tors. eta vs tors. theta energy: -2.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -71.615518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.615518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.615518 (E_RNA)
where:
Base-Base interactions energy: -32.907
where: short stacking energy: -16.520
Base-Backbone interact. energy: -0.134
local terms energy: -38.574452
where:
bonds (distance) C4'-P energy: -7.723
bonds (distance) P-C4' energy: -10.073
flat angles C4'-P-C4' energy: -11.166
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: -3.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -78.140540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.140540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.140540 (E_RNA)
where:
Base-Base interactions energy: -29.189
where: short stacking energy: -16.347
Base-Backbone interact. energy: -0.424
local terms energy: -48.528171
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -10.415
flat angles C4'-P-C4' energy: -9.921
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -3.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -63.259454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.259454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.259454 (E_RNA)
where:
Base-Base interactions energy: -20.254
where: short stacking energy: -20.254
Base-Backbone interact. energy: -0.002
local terms energy: -43.003574
where:
bonds (distance) C4'-P energy: -6.555
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -9.145
flat angles P-C4'-P energy: -6.610
tors. eta vs tors. theta energy: -7.425
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: 8, replica: 7
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -68.928719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.928719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.928719 (E_RNA)
where:
Base-Base interactions energy: -34.331
where: short stacking energy: -11.309
Base-Backbone interact. energy: -1.223
local terms energy: -33.375141
where:
bonds (distance) C4'-P energy: -7.105
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -8.241
flat angles P-C4'-P energy: -2.770
tors. eta vs tors. theta energy: -2.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -59.323595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.323595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.323595 (E_RNA)
where:
Base-Base interactions energy: -23.567
where: short stacking energy: -17.112
Base-Backbone interact. energy: -0.397
local terms energy: -35.358996
where:
bonds (distance) C4'-P energy: -9.548
bonds (distance) P-C4' energy: -11.032
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -4.175
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: 10, replica: 10
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -53.467217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.467217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.467217 (E_RNA)
where:
Base-Base interactions energy: -19.601
where: short stacking energy: -19.601
Base-Backbone interact. energy: -0.057
local terms energy: -33.809835
where:
bonds (distance) C4'-P energy: -9.172
bonds (distance) P-C4' energy: -9.569
flat angles C4'-P-C4' energy: -8.159
flat angles P-C4'-P energy: -5.218
tors. eta vs tors. theta energy: -1.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -127.104563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.104563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.104563 (E_RNA)
where:
Base-Base interactions energy: -81.482
where: short stacking energy: -34.647
Base-Backbone interact. energy: -0.793
local terms energy: -44.829655
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -12.254
flat angles C4'-P-C4' energy: -6.875
flat angles P-C4'-P energy: -4.997
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: 2, replica: 3
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -93.954596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.954596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.954596 (E_RNA)
where:
Base-Base interactions energy: -43.393
where: short stacking energy: -31.746
Base-Backbone interact. energy: -0.868
local terms energy: -49.692999
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -7.548
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -9.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -71.538812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.538812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.538812 (E_RNA)
where:
Base-Base interactions energy: -28.915
where: short stacking energy: -28.915
Base-Backbone interact. energy: -0.034
local terms energy: -42.590690
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -9.137
flat angles P-C4'-P energy: -4.063
tors. eta vs tors. theta energy: -7.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -92.925706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.925706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.925706 (E_RNA)
where:
Base-Base interactions energy: -47.388
where: short stacking energy: -35.586
Base-Backbone interact. energy: -0.009
local terms energy: -45.528186
where:
bonds (distance) C4'-P energy: -4.816
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -7.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -81.790661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.790661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.790661 (E_RNA)
where:
Base-Base interactions energy: -38.648
where: short stacking energy: -14.436
Base-Backbone interact. energy: 0.857
local terms energy: -43.999706
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -8.053
flat angles C4'-P-C4' energy: -9.152
flat angles P-C4'-P energy: -8.058
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: 6, replica: 1
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -70.886099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.886099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.886099 (E_RNA)
where:
Base-Base interactions energy: -33.668
where: short stacking energy: -15.838
Base-Backbone interact. energy: -0.351
local terms energy: -36.867005
where:
bonds (distance) C4'-P energy: -6.323
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -8.243
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -1.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -63.755644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.755644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.755644 (E_RNA)
where:
Base-Base interactions energy: -25.356
where: short stacking energy: -11.303
Base-Backbone interact. energy: -0.095
local terms energy: -38.304318
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -5.040
tors. eta vs tors. theta energy: -4.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -64.629667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.629667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.629667 (E_RNA)
where:
Base-Base interactions energy: -23.263
where: short stacking energy: -19.142
Base-Backbone interact. energy: -1.931
local terms energy: -39.435774
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -8.983
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: -0.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -51.658139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.658139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.658139 (E_RNA)
where:
Base-Base interactions energy: -26.882
where: short stacking energy: -8.922
Base-Backbone interact. energy: -0.838
local terms energy: -23.938022
where:
bonds (distance) C4'-P energy: -7.111
bonds (distance) P-C4' energy: -10.574
flat angles C4'-P-C4' energy: -6.422
flat angles P-C4'-P energy: -4.774
tors. eta vs tors. theta energy: 4.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -55.224126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.224126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.224126 (E_RNA)
where:
Base-Base interactions energy: -18.838
where: short stacking energy: -18.838
Base-Backbone interact. energy: -0.022
local terms energy: -36.364370
where:
bonds (distance) C4'-P energy: -8.804
bonds (distance) P-C4' energy: -9.732
flat angles C4'-P-C4' energy: -8.327
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -1.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -126.777069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.777069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.777069 (E_RNA)
where:
Base-Base interactions energy: -84.805
where: short stacking energy: -37.434
Base-Backbone interact. energy: 0.487
local terms energy: -42.460003
where:
bonds (distance) C4'-P energy: -9.188
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -4.517
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -8.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -85.885356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.885356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.885356 (E_RNA)
where:
Base-Base interactions energy: -31.959
where: short stacking energy: -31.959
Base-Backbone interact. energy: -0.012
local terms energy: -53.913809
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -7.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -88.092094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.092094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.092094 (E_RNA)
where:
Base-Base interactions energy: -43.471
where: short stacking energy: -25.756
Base-Backbone interact. energy: -0.002
local terms energy: -44.619197
where:
bonds (distance) C4'-P energy: -7.984
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -9.862
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: -7.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -79.190607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.190607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.190607 (E_RNA)
where:
Base-Base interactions energy: -34.784
where: short stacking energy: -29.095
Base-Backbone interact. energy: -0.029
local terms energy: -44.377444
where:
bonds (distance) C4'-P energy: -9.382
bonds (distance) P-C4' energy: -9.710
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -5.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -66.657130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.657130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.657130 (E_RNA)
where:
Base-Base interactions energy: -25.207
where: short stacking energy: -21.880
Base-Backbone interact. energy: -1.516
local terms energy: -39.933857
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -5.694
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -4.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -67.947439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.947439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.947439 (E_RNA)
where:
Base-Base interactions energy: -27.644
where: short stacking energy: -30.339
Base-Backbone interact. energy: -0.186
local terms energy: -40.117752
where:
bonds (distance) C4'-P energy: -7.983
bonds (distance) P-C4' energy: -10.181
flat angles C4'-P-C4' energy: -10.867
flat angles P-C4'-P energy: -6.447
tors. eta vs tors. theta energy: -4.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -62.404097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.404097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.404097 (E_RNA)
where:
Base-Base interactions energy: -22.159
where: short stacking energy: -17.887
Base-Backbone interact. energy: -0.111
local terms energy: -40.134216
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -7.660
flat angles C4'-P-C4' energy: -8.072
flat angles P-C4'-P energy: -7.659
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: 8, replica: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -58.308994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.308994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.308994 (E_RNA)
where:
Base-Base interactions energy: -15.010
where: short stacking energy: -10.159
Base-Backbone interact. energy: -0.066
local terms energy: -43.232961
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -4.485
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -6.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -63.416239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.416239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.416239 (E_RNA)
where:
Base-Base interactions energy: -26.019
where: short stacking energy: -13.492
Base-Backbone interact. energy: -0.084
local terms energy: -37.313346
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -9.725
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: 1.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -56.698503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.698503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.698503 (E_RNA)
where:
Base-Base interactions energy: -18.441
where: short stacking energy: -13.017
Base-Backbone interact. energy: 0.499
local terms energy: -38.756986
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -7.088
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -4.425
tors. eta vs tors. theta energy: -3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -124.425829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.425829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.425829 (E_RNA)
where:
Base-Base interactions energy: -79.117
where: short stacking energy: -30.586
Base-Backbone interact. energy: -0.364
local terms energy: -44.945528
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -10.150
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -6.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -88.831312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.831312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.831312 (E_RNA)
where:
Base-Base interactions energy: -36.641
where: short stacking energy: -30.893
Base-Backbone interact. energy: -1.054
local terms energy: -51.136244
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -10.042
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -10.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -87.675570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.675570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.675570 (E_RNA)
where:
Base-Base interactions energy: -45.564
where: short stacking energy: -26.723
Base-Backbone interact. energy: -0.262
local terms energy: -41.849962
where:
bonds (distance) C4'-P energy: -10.057
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -4.328
tors. eta vs tors. theta energy: -2.868
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: 4, replica: 9
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -73.114455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.114455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.114455 (E_RNA)
where:
Base-Base interactions energy: -35.472
where: short stacking energy: -21.054
Base-Backbone interact. energy: -0.055
local terms energy: -37.587923
where:
bonds (distance) C4'-P energy: -9.714
bonds (distance) P-C4' energy: -9.764
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: 1.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -69.432290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.432290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.432290 (E_RNA)
where:
Base-Base interactions energy: -23.151
where: short stacking energy: -20.227
Base-Backbone interact. energy: -1.296
local terms energy: -44.984784
where:
bonds (distance) C4'-P energy: -9.966
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -2.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -73.393165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.393165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.393165 (E_RNA)
where:
Base-Base interactions energy: -31.550
where: short stacking energy: -31.550
Base-Backbone interact. energy: -0.056
local terms energy: -41.787212
where:
bonds (distance) C4'-P energy: -7.627
bonds (distance) P-C4' energy: -5.899
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -6.429
tors. eta vs tors. theta energy: -11.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -68.300506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.300506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.300506 (E_RNA)
where:
Base-Base interactions energy: -26.738
where: short stacking energy: -26.544
Base-Backbone interact. energy: -0.000
local terms energy: -41.561999
where:
bonds (distance) C4'-P energy: -11.261
bonds (distance) P-C4' energy: -8.777
flat angles C4'-P-C4' energy: -8.393
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: -7.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -58.532383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.532383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.532383 (E_RNA)
where:
Base-Base interactions energy: -21.074
where: short stacking energy: -20.719
Base-Backbone interact. energy: -0.144
local terms energy: -37.314673
where:
bonds (distance) C4'-P energy: -5.740
bonds (distance) P-C4' energy: -9.558
flat angles C4'-P-C4' energy: -10.610
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -3.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -59.784637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.784637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.784637 (E_RNA)
where:
Base-Base interactions energy: -17.104
where: short stacking energy: -17.104
Base-Backbone interact. energy: -0.006
local terms energy: -42.675045
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -10.507
flat angles C4'-P-C4' energy: -9.512
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -2.793
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: 4
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -57.196860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.196860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.196860 (E_RNA)
where:
Base-Base interactions energy: -29.410
where: short stacking energy: -16.045
Base-Backbone interact. energy: 0.645
local terms energy: -28.431459
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -7.042
flat angles C4'-P-C4' energy: -5.707
flat angles P-C4'-P energy: -2.868
tors. eta vs tors. theta energy: -2.562
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: 1, replica: 6
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -131.228339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.228339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.228339 (E_RNA)
where:
Base-Base interactions energy: -88.131
where: short stacking energy: -34.274
Base-Backbone interact. energy: -0.298
local terms energy: -42.799477
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -2.473
tors. eta vs tors. theta energy: -6.408
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: 2
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -104.192701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.192701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.192701 (E_RNA)
where:
Base-Base interactions energy: -56.401
where: short stacking energy: -33.113
Base-Backbone interact. energy: -0.002
local terms energy: -47.790257
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -10.235
flat angles P-C4'-P energy: -4.419
tors. eta vs tors. theta energy: -9.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -72.216924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.216924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.216924 (E_RNA)
where:
Base-Base interactions energy: -27.567
where: short stacking energy: -26.912
Base-Backbone interact. energy: -0.132
local terms energy: -44.518286
where:
bonds (distance) C4'-P energy: -10.566
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -6.719
flat angles P-C4'-P energy: -8.021
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: 4, replica: 7
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -79.938879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.938879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.938879 (E_RNA)
where:
Base-Base interactions energy: -40.006
where: short stacking energy: -20.381
Base-Backbone interact. energy: -0.082
local terms energy: -39.851487
where:
bonds (distance) C4'-P energy: -9.118
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -7.682
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -3.005
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: 9
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -67.235597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.235597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.235597 (E_RNA)
where:
Base-Base interactions energy: -31.661
where: short stacking energy: -29.900
Base-Backbone interact. energy: -0.002
local terms energy: -35.572163
where:
bonds (distance) C4'-P energy: -7.850
bonds (distance) P-C4' energy: -10.372
flat angles C4'-P-C4' energy: -8.824
flat angles P-C4'-P energy: -4.201
tors. eta vs tors. theta energy: -4.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -75.333650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.333650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.333650 (E_RNA)
where:
Base-Base interactions energy: -31.663
where: short stacking energy: -21.313
Base-Backbone interact. energy: 0.430
local terms energy: -44.101140
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -11.885
flat angles P-C4'-P energy: -5.800
tors. eta vs tors. theta energy: -4.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -61.345209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.345209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.345209 (E_RNA)
where:
Base-Base interactions energy: -23.269
where: short stacking energy: -19.515
Base-Backbone interact. energy: -0.003
local terms energy: -38.073121
where:
bonds (distance) C4'-P energy: -10.731
bonds (distance) P-C4' energy: -10.128
flat angles C4'-P-C4' energy: -11.320
flat angles P-C4'-P energy: -4.506
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: 8, replica: 8
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -63.829842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.829842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.829842 (E_RNA)
where:
Base-Base interactions energy: -27.194
where: short stacking energy: -20.066
Base-Backbone interact. energy: 0.336
local terms energy: -36.971838
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -10.348
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: 1.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -66.259973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.259973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.259973 (E_RNA)
where:
Base-Base interactions energy: -32.486
where: short stacking energy: -23.893
Base-Backbone interact. energy: -0.318
local terms energy: -33.455647
where:
bonds (distance) C4'-P energy: -7.203
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -5.760
flat angles P-C4'-P energy: -8.510
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: 10, replica: 4
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -58.903239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.903239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.903239 (E_RNA)
where:
Base-Base interactions energy: -26.985
where: short stacking energy: -13.958
Base-Backbone interact. energy: 0.503
local terms energy: -32.421515
where:
bonds (distance) C4'-P energy: -7.313
bonds (distance) P-C4' energy: -10.882
flat angles C4'-P-C4' energy: -9.586
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: 1.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -140.866639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.866639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.866639 (E_RNA)
where:
Base-Base interactions energy: -91.523
where: short stacking energy: -34.581
Base-Backbone interact. energy: -0.444
local terms energy: -48.899823
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -8.211
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -6.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -125.876925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.876925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.876925 (E_RNA)
where:
Base-Base interactions energy: -79.196
where: short stacking energy: -36.122
Base-Backbone interact. energy: -0.144
local terms energy: -46.537067
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -10.814
flat angles C4'-P-C4' energy: -10.127
flat angles P-C4'-P energy: -5.470
tors. eta vs tors. theta energy: -8.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -74.977092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.977092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.977092 (E_RNA)
where:
Base-Base interactions energy: -28.811
where: short stacking energy: -28.811
Base-Backbone interact. energy: -0.000
local terms energy: -46.165451
where:
bonds (distance) C4'-P energy: -9.879
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -12.236
flat angles P-C4'-P energy: -4.200
tors. eta vs tors. theta energy: -8.125
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: 3
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -72.249162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.249162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.249162 (E_RNA)
where:
Base-Base interactions energy: -29.597
where: short stacking energy: -29.597
Base-Backbone interact. energy: -0.007
local terms energy: -42.645138
where:
bonds (distance) C4'-P energy: -9.335
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -2.157
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: 5, replica: 1
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -79.607980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.607980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.607980 (E_RNA)
where:
Base-Base interactions energy: -25.716
where: short stacking energy: -25.716
Base-Backbone interact. energy: -0.053
local terms energy: -53.839343
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -9.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -60.968544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.968544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.968544 (E_RNA)
where:
Base-Base interactions energy: -21.759
where: short stacking energy: -15.375
Base-Backbone interact. energy: 0.644
local terms energy: -39.852878
where:
bonds (distance) C4'-P energy: -10.025
bonds (distance) P-C4' energy: -11.478
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: 2.435
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: 8
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -72.270236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.270236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.270236 (E_RNA)
where:
Base-Base interactions energy: -25.623
where: short stacking energy: -17.690
Base-Backbone interact. energy: -0.742
local terms energy: -45.905243
where:
bonds (distance) C4'-P energy: -10.343
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: -7.882
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: 8, replica: 5
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -57.796845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.796845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.796845 (E_RNA)
where:
Base-Base interactions energy: -17.343
where: short stacking energy: -17.343
Base-Backbone interact. energy: -0.094
local terms energy: -40.359643
where:
bonds (distance) C4'-P energy: -5.647
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -8.176
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -3.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -54.073787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.073787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.073787 (E_RNA)
where:
Base-Base interactions energy: -18.424
where: short stacking energy: -17.690
Base-Backbone interact. energy: -0.064
local terms energy: -35.586143
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -8.800
flat angles C4'-P-C4' energy: -8.969
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: 0.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -50.746444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.746444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.746444 (E_RNA)
where:
Base-Base interactions energy: -22.017
where: short stacking energy: -16.858
Base-Backbone interact. energy: -0.008
local terms energy: -28.721646
where:
bonds (distance) C4'-P energy: -9.067
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -6.780
flat angles P-C4'-P energy: -2.529
tors. eta vs tors. theta energy: 0.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -137.814762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.814762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.814762 (E_RNA)
where:
Base-Base interactions energy: -91.278
where: short stacking energy: -36.432
Base-Backbone interact. energy: -0.062
local terms energy: -46.474820
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -12.342
flat angles C4'-P-C4' energy: -10.514
flat angles P-C4'-P energy: -2.586
tors. eta vs tors. theta energy: -8.654
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: 2
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -123.054925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.054925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.054925 (E_RNA)
where:
Base-Base interactions energy: -83.629
where: short stacking energy: -26.739
Base-Backbone interact. energy: 0.098
local terms energy: -39.523441
where:
bonds (distance) C4'-P energy: -11.261
bonds (distance) P-C4' energy: -8.213
flat angles C4'-P-C4' energy: -10.492
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -3.546
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: 7
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -81.280997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.280997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.280997 (E_RNA)
where:
Base-Base interactions energy: -36.991
where: short stacking energy: -30.209
Base-Backbone interact. energy: -0.058
local terms energy: -44.232120
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -5.888
tors. eta vs tors. theta energy: -6.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -71.960061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.960061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.960061 (E_RNA)
where:
Base-Base interactions energy: -26.227
where: short stacking energy: -24.860
Base-Backbone interact. energy: 1.578
local terms energy: -47.311034
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -10.568
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -5.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -66.903504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.903504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.903504 (E_RNA)
where:
Base-Base interactions energy: -19.627
where: short stacking energy: -17.276
Base-Backbone interact. energy: -0.005
local terms energy: -47.271800
where:
bonds (distance) C4'-P energy: -9.896
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -9.408
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -6.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -62.290778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.290778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.290778 (E_RNA)
where:
Base-Base interactions energy: -22.195
where: short stacking energy: -19.752
Base-Backbone interact. energy: -0.081
local terms energy: -40.015533
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -11.984
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -2.513
tors. eta vs tors. theta energy: -4.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -71.787765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.787765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.787765 (E_RNA)
where:
Base-Base interactions energy: -33.497
where: short stacking energy: -27.732
Base-Backbone interact. energy: -0.125
local terms energy: -38.165813
where:
bonds (distance) C4'-P energy: -8.369
bonds (distance) P-C4' energy: -7.830
flat angles C4'-P-C4' energy: -9.403
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: -6.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -62.566354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.566354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.566354 (E_RNA)
where:
Base-Base interactions energy: -20.994
where: short stacking energy: -12.146
Base-Backbone interact. energy: -0.103
local terms energy: -41.468602
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -10.671
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: 0.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -62.164184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.164184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.164184 (E_RNA)
where:
Base-Base interactions energy: -22.113
where: short stacking energy: -21.789
Base-Backbone interact. energy: 0.482
local terms energy: -40.533029
where:
bonds (distance) C4'-P energy: -9.292
bonds (distance) P-C4' energy: -11.333
flat angles C4'-P-C4' energy: -9.939
flat angles P-C4'-P energy: -6.289
tors. eta vs tors. theta energy: -3.680
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: 10
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -59.898079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.898079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.898079 (E_RNA)
where:
Base-Base interactions energy: -19.332
where: short stacking energy: -17.991
Base-Backbone interact. energy: -0.298
local terms energy: -40.268037
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -11.127
flat angles C4'-P-C4' energy: -7.441
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -3.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -118.694548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.694548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.694548 (E_RNA)
where:
Base-Base interactions energy: -76.921
where: short stacking energy: -28.526
Base-Backbone interact. energy: 0.841
local terms energy: -42.614460
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -9.020
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -5.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -128.640450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.640450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.640450 (E_RNA)
where:
Base-Base interactions energy: -83.991
where: short stacking energy: -29.221
Base-Backbone interact. energy: -0.432
local terms energy: -44.216769
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -10.402
flat angles P-C4'-P energy: -5.855
tors. eta vs tors. theta energy: -3.812
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: 3, replica: 1
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -93.024808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.024808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.024808 (E_RNA)
where:
Base-Base interactions energy: -45.841
where: short stacking energy: -40.511
Base-Backbone interact. energy: -0.001
local terms energy: -47.182378
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -12.287
flat angles C4'-P-C4' energy: -9.090
flat angles P-C4'-P energy: -4.980
tors. eta vs tors. theta energy: -10.256
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: 7
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -83.594361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.594361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.594361 (E_RNA)
where:
Base-Base interactions energy: -39.777
where: short stacking energy: -26.777
Base-Backbone interact. energy: -0.060
local terms energy: -43.757553
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -9.613
flat angles C4'-P-C4' energy: -9.210
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -5.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -80.113820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.113820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.113820 (E_RNA)
where:
Base-Base interactions energy: -40.640
where: short stacking energy: -27.700
Base-Backbone interact. energy: -0.002
local terms energy: -39.472236
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -8.791
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -5.649
tors. eta vs tors. theta energy: -1.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -67.796782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.796782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.796782 (E_RNA)
where:
Base-Base interactions energy: -27.307
where: short stacking energy: -26.593
Base-Backbone interact. energy: 1.064
local terms energy: -41.554211
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -7.270
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -6.347
tors. eta vs tors. theta energy: -5.641
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: 4
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -64.251392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.251392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.251392 (E_RNA)
where:
Base-Base interactions energy: -20.979
where: short stacking energy: -20.979
Base-Backbone interact. energy: -0.002
local terms energy: -43.270414
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -10.447
flat angles P-C4'-P energy: -5.254
tors. eta vs tors. theta energy: -5.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -64.863917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.863917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.863917 (E_RNA)
where:
Base-Base interactions energy: -30.372
where: short stacking energy: -13.009
Base-Backbone interact. energy: 1.482
local terms energy: -35.974157
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -7.128
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: 2.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -59.799009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.799009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.799009 (E_RNA)
where:
Base-Base interactions energy: -25.331
where: short stacking energy: -16.729
Base-Backbone interact. energy: -1.211
local terms energy: -33.256806
where:
bonds (distance) C4'-P energy: -5.333
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -8.550
flat angles P-C4'-P energy: -5.060
tors. eta vs tors. theta energy: -3.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -57.739987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.739987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.739987 (E_RNA)
where:
Base-Base interactions energy: -22.912
where: short stacking energy: -15.221
Base-Backbone interact. energy: -1.403
local terms energy: -33.425621
where:
bonds (distance) C4'-P energy: -9.436
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -8.610
flat angles P-C4'-P energy: -4.240
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: 6
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -122.774414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.774414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.774414 (E_RNA)
where:
Base-Base interactions energy: -80.074
where: short stacking energy: -32.655
Base-Backbone interact. energy: -0.073
local terms energy: -42.628064
where:
bonds (distance) C4'-P energy: -8.223
bonds (distance) P-C4' energy: -11.017
flat angles C4'-P-C4' energy: -9.362
flat angles P-C4'-P energy: -5.951
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: 2, replica: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -131.553190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.553190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.553190 (E_RNA)
where:
Base-Base interactions energy: -90.916
where: short stacking energy: -36.979
Base-Backbone interact. energy: -0.066
local terms energy: -40.571396
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -10.218
flat angles C4'-P-C4' energy: -10.447
flat angles P-C4'-P energy: -1.938
tors. eta vs tors. theta energy: -6.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -75.692810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.692810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.692810 (E_RNA)
where:
Base-Base interactions energy: -29.066
where: short stacking energy: -24.545
Base-Backbone interact. energy: -0.111
local terms energy: -46.516179
where:
bonds (distance) C4'-P energy: -7.445
bonds (distance) P-C4' energy: -10.650
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -7.878
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: 4, replica: 8
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -84.738060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.738060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.738060 (E_RNA)
where:
Base-Base interactions energy: -40.895
where: short stacking energy: -37.837
Base-Backbone interact. energy: 0.080
local terms energy: -43.923888
where:
bonds (distance) C4'-P energy: -7.564
bonds (distance) P-C4' energy: -10.229
flat angles C4'-P-C4' energy: -8.584
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -7.987
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: 7
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -77.565115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.565115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.565115 (E_RNA)
where:
Base-Base interactions energy: -32.543
where: short stacking energy: -21.244
Base-Backbone interact. energy: 0.790
local terms energy: -45.812119
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -11.085
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: -6.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -66.414575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.414575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.414575 (E_RNA)
where:
Base-Base interactions energy: -27.122
where: short stacking energy: -24.911
Base-Backbone interact. energy: -0.121
local terms energy: -39.171818
where:
bonds (distance) C4'-P energy: -8.377
bonds (distance) P-C4' energy: -8.196
flat angles C4'-P-C4' energy: -10.477
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -57.932733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.932733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.932733 (E_RNA)
where:
Base-Base interactions energy: -23.597
where: short stacking energy: -20.178
Base-Backbone interact. energy: -0.180
local terms energy: -34.156307
where:
bonds (distance) C4'-P energy: -7.176
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -8.931
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: 0.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -63.262854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.262854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.262854 (E_RNA)
where:
Base-Base interactions energy: -25.115
where: short stacking energy: -18.340
Base-Backbone interact. energy: 0.828
local terms energy: -38.975928
where:
bonds (distance) C4'-P energy: -7.559
bonds (distance) P-C4' energy: -7.840
flat angles C4'-P-C4' energy: -10.694
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -2.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -54.504103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.504103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.504103 (E_RNA)
where:
Base-Base interactions energy: -26.625
where: short stacking energy: -20.555
Base-Backbone interact. energy: -0.106
local terms energy: -27.772321
where:
bonds (distance) C4'-P energy: -8.448
bonds (distance) P-C4' energy: -9.816
flat angles C4'-P-C4' energy: -10.353
flat angles P-C4'-P energy: 4.467
tors. eta vs tors. theta energy: -3.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -60.264284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.264284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.264284 (E_RNA)
where:
Base-Base interactions energy: -25.072
where: short stacking energy: -14.736
Base-Backbone interact. energy: -0.179
local terms energy: -35.013647
where:
bonds (distance) C4'-P energy: -8.286
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -8.151
flat angles P-C4'-P energy: -5.348
tors. eta vs tors. theta energy: -1.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -138.156972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.156972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.156972 (E_RNA)
where:
Base-Base interactions energy: -85.209
where: short stacking energy: -42.289
Base-Backbone interact. energy: -0.013
local terms energy: -52.935229
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -10.556
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -8.352
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: 2, replica: 6
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -117.876049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.876049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.876049 (E_RNA)
where:
Base-Base interactions energy: -71.557
where: short stacking energy: -33.093
Base-Backbone interact. energy: 0.489
local terms energy: -46.807683
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -10.146
flat angles C4'-P-C4' energy: -9.753
flat angles P-C4'-P energy: -6.379
tors. eta vs tors. theta energy: -9.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -81.107461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.107461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.107461 (E_RNA)
where:
Base-Base interactions energy: -33.564
where: short stacking energy: -33.564
Base-Backbone interact. energy: -0.104
local terms energy: -47.439922
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -4.237
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: 4, replica: 1
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -94.488460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.488460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.488460 (E_RNA)
where:
Base-Base interactions energy: -41.266
where: short stacking energy: -41.266
Base-Backbone interact. energy: -0.000
local terms energy: -53.221814
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -10.610
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -10.939
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: 7
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -67.112143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.112143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.112143 (E_RNA)
where:
Base-Base interactions energy: -23.022
where: short stacking energy: -19.466
Base-Backbone interact. energy: -2.110
local terms energy: -41.980033
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -8.081
flat angles C4'-P-C4' energy: -9.200
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -6.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -61.771140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.771140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.771140 (E_RNA)
where:
Base-Base interactions energy: -22.982
where: short stacking energy: -20.283
Base-Backbone interact. energy: 0.118
local terms energy: -38.907331
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -11.407
flat angles C4'-P-C4' energy: -9.327
flat angles P-C4'-P energy: -3.816
tors. eta vs tors. theta energy: -1.932
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: 9
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -61.462471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.462471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.462471 (E_RNA)
where:
Base-Base interactions energy: -20.731
where: short stacking energy: -17.866
Base-Backbone interact. energy: -0.877
local terms energy: -39.853948
where:
bonds (distance) C4'-P energy: -7.631
bonds (distance) P-C4' energy: -10.511
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -2.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -61.384888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.384888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.384888 (E_RNA)
where:
Base-Base interactions energy: -28.005
where: short stacking energy: -23.747
Base-Backbone interact. energy: -0.086
local terms energy: -33.293348
where:
bonds (distance) C4'-P energy: -3.198
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -11.152
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -2.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -62.503766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.503766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.503766 (E_RNA)
where:
Base-Base interactions energy: -23.675
where: short stacking energy: -14.792
Base-Backbone interact. energy: -0.057
local terms energy: -38.771626
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -10.539
flat angles C4'-P-C4' energy: -7.903
flat angles P-C4'-P energy: -5.612
tors. eta vs tors. theta energy: -2.184
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: 10, replica: 5
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -56.938829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.938829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.938829 (E_RNA)
where:
Base-Base interactions energy: -24.618
where: short stacking energy: -14.507
Base-Backbone interact. energy: 1.296
local terms energy: -33.617270
where:
bonds (distance) C4'-P energy: -7.959
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -6.803
flat angles P-C4'-P energy: -6.875
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: 2
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -130.178204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.178204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.178204 (E_RNA)
where:
Base-Base interactions energy: -85.881
where: short stacking energy: -35.274
Base-Backbone interact. energy: -0.622
local terms energy: -43.675429
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -12.227
flat angles C4'-P-C4' energy: -4.132
flat angles P-C4'-P energy: -6.092
tors. eta vs tors. theta energy: -10.745
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: 6
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -113.948205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.948205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.948205 (E_RNA)
where:
Base-Base interactions energy: -72.490
where: short stacking energy: -31.091
Base-Backbone interact. energy: -0.728
local terms energy: -40.729770
where:
bonds (distance) C4'-P energy: -7.879
bonds (distance) P-C4' energy: -8.987
flat angles C4'-P-C4' energy: -10.696
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -6.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -90.241514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.241514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.241514 (E_RNA)
where:
Base-Base interactions energy: -42.923
where: short stacking energy: -26.218
Base-Backbone interact. energy: -0.469
local terms energy: -46.850009
where:
bonds (distance) C4'-P energy: -10.049
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -10.720
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -4.574
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: 4, replica: 7
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -82.983585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.983585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.983585 (E_RNA)
where:
Base-Base interactions energy: -36.470
where: short stacking energy: -32.326
Base-Backbone interact. energy: -0.150
local terms energy: -46.363527
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -9.693
flat angles C4'-P-C4' energy: -10.940
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -8.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -76.158861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.158861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.158861 (E_RNA)
where:
Base-Base interactions energy: -34.618
where: short stacking energy: -15.418
Base-Backbone interact. energy: -0.679
local terms energy: -40.861676
where:
bonds (distance) C4'-P energy: -9.780
bonds (distance) P-C4' energy: -11.504
flat angles C4'-P-C4' energy: -9.571
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -2.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -67.527554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.527554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.527554 (E_RNA)
where:
Base-Base interactions energy: -26.362
where: short stacking energy: -24.948
Base-Backbone interact. energy: 0.122
local terms energy: -41.287136
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -11.060
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: -6.531
tors. eta vs tors. theta energy: -2.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -60.002335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.002335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.002335 (E_RNA)
where:
Base-Base interactions energy: -22.295
where: short stacking energy: -15.232
Base-Backbone interact. energy: -0.839
local terms energy: -36.869300
where:
bonds (distance) C4'-P energy: -8.472
bonds (distance) P-C4' energy: -10.073
flat angles C4'-P-C4' energy: -9.005
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -1.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -62.866609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.866609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.866609 (E_RNA)
where:
Base-Base interactions energy: -23.670
where: short stacking energy: -17.485
Base-Backbone interact. energy: -0.071
local terms energy: -39.125789
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -8.244
flat angles C4'-P-C4' energy: -10.046
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -2.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -60.338913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.338913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.338913 (E_RNA)
where:
Base-Base interactions energy: -27.005
where: short stacking energy: -21.941
Base-Backbone interact. energy: -0.927
local terms energy: -32.407130
where:
bonds (distance) C4'-P energy: -7.259
bonds (distance) P-C4' energy: -8.066
flat angles C4'-P-C4' energy: -7.580
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -0.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -59.811990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.811990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.811990 (E_RNA)
where:
Base-Base interactions energy: -18.966
where: short stacking energy: -13.347
Base-Backbone interact. energy: -0.676
local terms energy: -40.170394
where:
bonds (distance) C4'-P energy: -7.395
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -1.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -141.663360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.663360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.663360 (E_RNA)
where:
Base-Base interactions energy: -89.199
where: short stacking energy: -40.533
Base-Backbone interact. energy: -0.546
local terms energy: -51.918351
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -7.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -121.239635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.239635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.239635 (E_RNA)
where:
Base-Base interactions energy: -73.222
where: short stacking energy: -33.740
Base-Backbone interact. energy: 0.392
local terms energy: -48.409622
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -10.240
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -6.812
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: 3, replica: 8
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -67.978555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.978555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.978555 (E_RNA)
where:
Base-Base interactions energy: -23.305
where: short stacking energy: -21.267
Base-Backbone interact. energy: -0.157
local terms energy: -44.517154
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -9.518
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -3.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -75.228836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.228836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.228836 (E_RNA)
where:
Base-Base interactions energy: -36.309
where: short stacking energy: -32.845
Base-Backbone interact. energy: -0.071
local terms energy: -38.849023
where:
bonds (distance) C4'-P energy: -6.169
bonds (distance) P-C4' energy: -11.041
flat angles C4'-P-C4' energy: -7.278
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -7.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -74.965385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.965385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.965385 (E_RNA)
where:
Base-Base interactions energy: -32.334
where: short stacking energy: -28.815
Base-Backbone interact. energy: -0.002
local terms energy: -42.629703
where:
bonds (distance) C4'-P energy: -6.919
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -3.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -70.772940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.772940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.772940 (E_RNA)
where:
Base-Base interactions energy: -31.391
where: short stacking energy: -26.092
Base-Backbone interact. energy: -0.141
local terms energy: -39.241193
where:
bonds (distance) C4'-P energy: -9.229
bonds (distance) P-C4' energy: -8.888
flat angles C4'-P-C4' energy: -9.150
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: -5.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -66.542885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.542885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.542885 (E_RNA)
where:
Base-Base interactions energy: -25.556
where: short stacking energy: -16.923
Base-Backbone interact. energy: -0.141
local terms energy: -40.845491
where:
bonds (distance) C4'-P energy: -10.146
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -6.928
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -3.704
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: 4
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -54.621619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.621619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.621619 (E_RNA)
where:
Base-Base interactions energy: -16.573
where: short stacking energy: -16.573
Base-Backbone interact. energy: -0.105
local terms energy: -37.943082
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -10.704
flat angles C4'-P-C4' energy: -9.323
flat angles P-C4'-P energy: -4.728
tors. eta vs tors. theta energy: -1.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -61.098400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.098400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.098400 (E_RNA)
where:
Base-Base interactions energy: -29.602
where: short stacking energy: -17.596
Base-Backbone interact. energy: -0.157
local terms energy: -31.339729
where:
bonds (distance) C4'-P energy: -10.211
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: 0.706
flat angles P-C4'-P energy: -6.021
tors. eta vs tors. theta energy: -3.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -59.302121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.302121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.302121 (E_RNA)
where:
Base-Base interactions energy: -18.470
where: short stacking energy: -18.326
Base-Backbone interact. energy: -0.278
local terms energy: -40.554069
where:
bonds (distance) C4'-P energy: -9.655
bonds (distance) P-C4' energy: -11.367
flat angles C4'-P-C4' energy: -10.816
flat angles P-C4'-P energy: -3.004
tors. eta vs tors. theta energy: -5.712
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: 1, replica: 2
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -123.919995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.919995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.919995 (E_RNA)
where:
Base-Base interactions energy: -84.758
where: short stacking energy: -32.409
Base-Backbone interact. energy: 0.458
local terms energy: -39.619703
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -1.932
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -6.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -122.278504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.278504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.278504 (E_RNA)
where:
Base-Base interactions energy: -70.368
where: short stacking energy: -37.372
Base-Backbone interact. energy: -0.315
local terms energy: -51.595555
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -11.174
flat angles C4'-P-C4' energy: -9.775
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -11.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -85.706316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.706316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.706316 (E_RNA)
where:
Base-Base interactions energy: -38.641
where: short stacking energy: -36.521
Base-Backbone interact. energy: -0.001
local terms energy: -47.064094
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -7.285
flat angles P-C4'-P energy: -6.371
tors. eta vs tors. theta energy: -11.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -97.855621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.855621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.855621 (E_RNA)
where:
Base-Base interactions energy: -54.657
where: short stacking energy: -24.412
Base-Backbone interact. energy: -0.528
local terms energy: -42.671005
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -11.396
flat angles C4'-P-C4' energy: -7.120
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -5.799
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: 7
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -82.776574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.776574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.776574 (E_RNA)
where:
Base-Base interactions energy: -37.131
where: short stacking energy: -20.306
Base-Backbone interact. energy: 0.308
local terms energy: -45.953308
where:
bonds (distance) C4'-P energy: -8.338
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -9.492
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -5.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -65.606986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.606986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.606986 (E_RNA)
where:
Base-Base interactions energy: -23.092
where: short stacking energy: -23.092
Base-Backbone interact. energy: -0.423
local terms energy: -42.092139
where:
bonds (distance) C4'-P energy: -9.406
bonds (distance) P-C4' energy: -11.557
flat angles C4'-P-C4' energy: -9.177
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -4.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -61.890607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.890607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.890607 (E_RNA)
where:
Base-Base interactions energy: -15.192
where: short stacking energy: -15.192
Base-Backbone interact. energy: -0.069
local terms energy: -46.630487
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -10.091
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -2.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -56.951348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.951348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.951348 (E_RNA)
where:
Base-Base interactions energy: -23.815
where: short stacking energy: -23.815
Base-Backbone interact. energy: -0.003
local terms energy: -33.132488
where:
bonds (distance) C4'-P energy: -8.173
bonds (distance) P-C4' energy: -7.675
flat angles C4'-P-C4' energy: -9.263
flat angles P-C4'-P energy: -5.199
tors. eta vs tors. theta energy: -2.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -67.351840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.351840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.351840 (E_RNA)
where:
Base-Base interactions energy: -31.931
where: short stacking energy: -19.315
Base-Backbone interact. energy: -0.108
local terms energy: -35.312964
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -9.917
flat angles C4'-P-C4' energy: -7.962
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: 0.729
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: 3
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -53.392851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.392851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.392851 (E_RNA)
where:
Base-Base interactions energy: -21.567
where: short stacking energy: -17.783
Base-Backbone interact. energy: -0.061
local terms energy: -31.765270
where:
bonds (distance) C4'-P energy: -7.177
bonds (distance) P-C4' energy: -11.214
flat angles C4'-P-C4' energy: -10.013
flat angles P-C4'-P energy: -2.484
tors. eta vs tors. theta energy: -0.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -124.894276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.894276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.894276 (E_RNA)
where:
Base-Base interactions energy: -75.155
where: short stacking energy: -39.976
Base-Backbone interact. energy: -0.524
local terms energy: -49.215027
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -9.421
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -9.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -123.423411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.423411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.423411 (E_RNA)
where:
Base-Base interactions energy: -73.285
where: short stacking energy: -35.275
Base-Backbone interact. energy: -0.181
local terms energy: -49.957557
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -9.310
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -7.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -102.911633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.911633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.911633 (E_RNA)
where:
Base-Base interactions energy: -60.431
where: short stacking energy: -24.697
Base-Backbone interact. energy: -0.286
local terms energy: -42.194656
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -10.943
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -0.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -72.580515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.580515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.580515 (E_RNA)
where:
Base-Base interactions energy: -25.744
where: short stacking energy: -23.401
Base-Backbone interact. energy: -0.090
local terms energy: -46.746183
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -9.787
flat angles C4'-P-C4' energy: -10.457
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -7.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -65.052929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.052929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.052929 (E_RNA)
where:
Base-Base interactions energy: -30.659
where: short stacking energy: -12.661
Base-Backbone interact. energy: -0.330
local terms energy: -34.064328
where:
bonds (distance) C4'-P energy: -10.198
bonds (distance) P-C4' energy: -10.602
flat angles C4'-P-C4' energy: -9.420
flat angles P-C4'-P energy: -5.205
tors. eta vs tors. theta energy: 1.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -78.656382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.656382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.656382 (E_RNA)
where:
Base-Base interactions energy: -38.221
where: short stacking energy: -22.484
Base-Backbone interact. energy: -0.020
local terms energy: -40.415354
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -6.384
flat angles P-C4'-P energy: -6.297
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: 7, replica: 5
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -64.936343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.936343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.936343 (E_RNA)
where:
Base-Base interactions energy: -29.903
where: short stacking energy: -19.113
Base-Backbone interact. energy: -0.025
local terms energy: -35.008162
where:
bonds (distance) C4'-P energy: -8.438
bonds (distance) P-C4' energy: -10.384
flat angles C4'-P-C4' energy: -11.189
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: 1.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -75.543019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.543019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.543019 (E_RNA)
where:
Base-Base interactions energy: -32.098
where: short stacking energy: -25.385
Base-Backbone interact. energy: 0.387
local terms energy: -43.831776
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -10.745
flat angles C4'-P-C4' energy: -10.082
flat angles P-C4'-P energy: -5.336
tors. eta vs tors. theta energy: -5.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -58.065501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.065501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.065501 (E_RNA)
where:
Base-Base interactions energy: -14.516
where: short stacking energy: -12.927
Base-Backbone interact. energy: -0.018
local terms energy: -43.531153
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -9.514
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -5.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -64.950769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.950769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.950769 (E_RNA)
where:
Base-Base interactions energy: -37.915
where: short stacking energy: -11.901
Base-Backbone interact. energy: -0.251
local terms energy: -26.784173
where:
bonds (distance) C4'-P energy: -5.847
bonds (distance) P-C4' energy: -10.943
flat angles C4'-P-C4' energy: -8.312
flat angles P-C4'-P energy: -5.685
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: 1, replica: 6
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -127.639350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.639350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.639350 (E_RNA)
where:
Base-Base interactions energy: -80.646
where: short stacking energy: -30.615
Base-Backbone interact. energy: -0.176
local terms energy: -46.817396
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -7.870
flat angles P-C4'-P energy: -4.654
tors. eta vs tors. theta energy: -9.297
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: 2, replica: 2
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -114.491460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.491460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.491460 (E_RNA)
where:
Base-Base interactions energy: -62.135
where: short stacking energy: -41.241
Base-Backbone interact. energy: -0.118
local terms energy: -52.238122
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -10.943
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -12.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -96.549402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.549402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.549402 (E_RNA)
where:
Base-Base interactions energy: -44.270
where: short stacking energy: -35.569
Base-Backbone interact. energy: -0.071
local terms energy: -52.208402
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -10.585
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -10.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -95.829079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.829079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.829079 (E_RNA)
where:
Base-Base interactions energy: -51.866
where: short stacking energy: -18.136
Base-Backbone interact. energy: 1.468
local terms energy: -45.430633
where:
bonds (distance) C4'-P energy: -9.068
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -8.883
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -7.642
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: 5, replica: 8
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -72.406248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.406248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.406248 (E_RNA)
where:
Base-Base interactions energy: -30.104
where: short stacking energy: -28.044
Base-Backbone interact. energy: -0.099
local terms energy: -42.203372
where:
bonds (distance) C4'-P energy: -6.455
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -7.087
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: 6, replica: 5
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -68.498381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.498381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.498381 (E_RNA)
where:
Base-Base interactions energy: -26.424
where: short stacking energy: -21.065
Base-Backbone interact. energy: -0.060
local terms energy: -42.014733
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -6.550
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -3.614
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: 265
Temperature: 1.200000
Total energy: -66.886043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.886043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.886043 (E_RNA)
where:
Base-Base interactions energy: -30.953
where: short stacking energy: -15.011
Base-Backbone interact. energy: -0.239
local terms energy: -35.693849
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -10.601
flat angles C4'-P-C4' energy: -10.750
flat angles P-C4'-P energy: -4.383
tors. eta vs tors. theta energy: 1.285
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: 265
Temperature: 1.250000
Total energy: -70.056735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.056735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.056735 (E_RNA)
where:
Base-Base interactions energy: -20.611
where: short stacking energy: -15.737
Base-Backbone interact. energy: -0.642
local terms energy: -48.802998
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -7.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -71.230572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.230572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.230572 (E_RNA)
where:
Base-Base interactions energy: -33.817
where: short stacking energy: -16.597
Base-Backbone interact. energy: -0.002
local terms energy: -37.411725
where:
bonds (distance) C4'-P energy: -9.209
bonds (distance) P-C4' energy: -11.211
flat angles C4'-P-C4' energy: -10.515
flat angles P-C4'-P energy: -4.286
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: 10, replica: 4
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -58.263767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.263767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.263767 (E_RNA)
where:
Base-Base interactions energy: -23.787
where: short stacking energy: -11.836
Base-Backbone interact. energy: -0.170
local terms energy: -34.307254
where:
bonds (distance) C4'-P energy: -7.358
bonds (distance) P-C4' energy: -9.420
flat angles C4'-P-C4' energy: -9.065
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -0.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -124.272464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.272464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.272464 (E_RNA)
where:
Base-Base interactions energy: -71.566
where: short stacking energy: -41.490
Base-Backbone interact. energy: -0.052
local terms energy: -52.654900
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -11.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -119.075093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.075093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.075093 (E_RNA)
where:
Base-Base interactions energy: -70.390
where: short stacking energy: -32.170
Base-Backbone interact. energy: -1.077
local terms energy: -47.608120
where:
bonds (distance) C4'-P energy: -9.105
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -10.269
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -8.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -88.503770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.503770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.503770 (E_RNA)
where:
Base-Base interactions energy: -38.513
where: short stacking energy: -32.485
Base-Backbone interact. energy: -0.027
local terms energy: -49.964225
where:
bonds (distance) C4'-P energy: -7.992
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -9.807
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -9.344
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: 10
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -85.796433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.796433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.796433 (E_RNA)
where:
Base-Base interactions energy: -49.401
where: short stacking energy: -30.231
Base-Backbone interact. energy: -0.101
local terms energy: -36.294727
where:
bonds (distance) C4'-P energy: -8.484
bonds (distance) P-C4' energy: -8.330
flat angles C4'-P-C4' energy: -8.706
flat angles P-C4'-P energy: -4.616
tors. eta vs tors. theta energy: -6.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -70.493774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.493774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.493774 (E_RNA)
where:
Base-Base interactions energy: -28.588
where: short stacking energy: -28.588
Base-Backbone interact. energy: -0.130
local terms energy: -41.775892
where:
bonds (distance) C4'-P energy: -10.628
bonds (distance) P-C4' energy: -10.572
flat angles C4'-P-C4' energy: -6.122
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -6.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -56.846622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.846622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.846622 (E_RNA)
where:
Base-Base interactions energy: -20.124
where: short stacking energy: -20.124
Base-Backbone interact. energy: -0.061
local terms energy: -36.661063
where:
bonds (distance) C4'-P energy: -10.185
bonds (distance) P-C4' energy: -9.920
flat angles C4'-P-C4' energy: -7.544
flat angles P-C4'-P energy: -4.814
tors. eta vs tors. theta energy: -4.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -64.381879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.381879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.381879 (E_RNA)
where:
Base-Base interactions energy: -29.860
where: short stacking energy: -16.214
Base-Backbone interact. energy: -0.098
local terms energy: -34.423585
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -8.010
flat angles P-C4'-P energy: -2.496
tors. eta vs tors. theta energy: -1.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -60.742764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.742764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.742764 (E_RNA)
where:
Base-Base interactions energy: -18.907
where: short stacking energy: -14.180
Base-Backbone interact. energy: -0.041
local terms energy: -41.794892
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -10.863
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -5.369
tors. eta vs tors. theta energy: -5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -58.143831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.143831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.143831 (E_RNA)
where:
Base-Base interactions energy: -18.566
where: short stacking energy: -15.967
Base-Backbone interact. energy: -0.194
local terms energy: -39.384545
where:
bonds (distance) C4'-P energy: -9.250
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -4.457
tors. eta vs tors. theta energy: -3.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -55.602637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.602637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.602637 (E_RNA)
where:
Base-Base interactions energy: -26.492
where: short stacking energy: -21.463
Base-Backbone interact. energy: -0.157
local terms energy: -28.953703
where:
bonds (distance) C4'-P energy: -7.032
bonds (distance) P-C4' energy: -9.228
flat angles C4'-P-C4' energy: -9.517
flat angles P-C4'-P energy: -0.410
tors. eta vs tors. theta energy: -2.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -121.547499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.547499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.547499 (E_RNA)
where:
Base-Base interactions energy: -71.766
where: short stacking energy: -37.091
Base-Backbone interact. energy: -0.062
local terms energy: -49.718731
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -10.504
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -8.743
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: 2, replica: 2
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -116.352050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.352050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.352050 (E_RNA)
where:
Base-Base interactions energy: -65.267
where: short stacking energy: -40.607
Base-Backbone interact. energy: -0.112
local terms energy: -50.973496
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -8.721
flat angles C4'-P-C4' energy: -10.951
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -11.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -93.348820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.348820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.348820 (E_RNA)
where:
Base-Base interactions energy: -55.225
where: short stacking energy: -32.264
Base-Backbone interact. energy: -0.299
local terms energy: -37.824580
where:
bonds (distance) C4'-P energy: -8.228
bonds (distance) P-C4' energy: -7.063
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -4.996
tors. eta vs tors. theta energy: -5.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -82.664749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.664749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.664749 (E_RNA)
where:
Base-Base interactions energy: -47.470
where: short stacking energy: -28.980
Base-Backbone interact. energy: -0.013
local terms energy: -35.181743
where:
bonds (distance) C4'-P energy: -9.315
bonds (distance) P-C4' energy: -7.017
flat angles C4'-P-C4' energy: -7.952
flat angles P-C4'-P energy: -5.772
tors. eta vs tors. theta energy: -5.126
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: 8
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -64.498114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.498114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.498114 (E_RNA)
where:
Base-Base interactions energy: -24.381
where: short stacking energy: -13.161
Base-Backbone interact. energy: -0.881
local terms energy: -39.235545
where:
bonds (distance) C4'-P energy: -8.943
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -11.065
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -2.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -63.233812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.233812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.233812 (E_RNA)
where:
Base-Base interactions energy: -24.817
where: short stacking energy: -17.390
Base-Backbone interact. energy: -0.183
local terms energy: -38.233355
where:
bonds (distance) C4'-P energy: -8.236
bonds (distance) P-C4' energy: -10.777
flat angles C4'-P-C4' energy: -9.398
flat angles P-C4'-P energy: -8.226
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: 7, replica: 5
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -60.381027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.381027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.381027 (E_RNA)
where:
Base-Base interactions energy: -27.655
where: short stacking energy: -20.668
Base-Backbone interact. energy: 2.061
local terms energy: -34.787724
where:
bonds (distance) C4'-P energy: -10.104
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -8.863
flat angles P-C4'-P energy: -4.924
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: 8, replica: 4
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -60.401311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.401311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.401311 (E_RNA)
where:
Base-Base interactions energy: -18.906
where: short stacking energy: -18.906
Base-Backbone interact. energy: -0.068
local terms energy: -41.426657
where:
bonds (distance) C4'-P energy: -8.471
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -0.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -50.735185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.735185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.735185 (E_RNA)
where:
Base-Base interactions energy: -17.897
where: short stacking energy: -17.897
Base-Backbone interact. energy: -0.037
local terms energy: -32.800312
where:
bonds (distance) C4'-P energy: -9.113
bonds (distance) P-C4' energy: -8.838
flat angles C4'-P-C4' energy: -10.292
flat angles P-C4'-P energy: -4.699
tors. eta vs tors. theta energy: 0.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -63.635203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.635203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.635203 (E_RNA)
where:
Base-Base interactions energy: -30.747
where: short stacking energy: -16.191
Base-Backbone interact. energy: -0.279
local terms energy: -32.609103
where:
bonds (distance) C4'-P energy: -6.489
bonds (distance) P-C4' energy: -10.563
flat angles C4'-P-C4' energy: -8.842
flat angles P-C4'-P energy: -5.047
tors. eta vs tors. theta energy: -1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -103.295300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.295300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.295300 (E_RNA)
where:
Base-Base interactions energy: -56.561
where: short stacking energy: -37.174
Base-Backbone interact. energy: -0.001
local terms energy: -46.733656
where:
bonds (distance) C4'-P energy: -9.430
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -8.460
flat angles P-C4'-P energy: -6.228
tors. eta vs tors. theta energy: -10.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -137.190595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.190595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.190595 (E_RNA)
where:
Base-Base interactions energy: -90.775
where: short stacking energy: -33.874
Base-Backbone interact. energy: -0.827
local terms energy: -45.588401
where:
bonds (distance) C4'-P energy: -9.292
bonds (distance) P-C4' energy: -11.104
flat angles C4'-P-C4' energy: -11.015
flat angles P-C4'-P energy: -5.100
tors. eta vs tors. theta energy: -9.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -90.666778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.666778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.666778 (E_RNA)
where:
Base-Base interactions energy: -52.608
where: short stacking energy: -19.295
Base-Backbone interact. energy: -0.313
local terms energy: -37.745806
where:
bonds (distance) C4'-P energy: -8.347
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -8.745
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: 0.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -74.143318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.143318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.143318 (E_RNA)
where:
Base-Base interactions energy: -36.131
where: short stacking energy: -20.394
Base-Backbone interact. energy: -0.004
local terms energy: -38.008453
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -10.309
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -4.802
tors. eta vs tors. theta energy: 0.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -71.192399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.192399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.192399 (E_RNA)
where:
Base-Base interactions energy: -23.621
where: short stacking energy: -23.621
Base-Backbone interact. energy: 0.376
local terms energy: -47.946829
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -10.520
flat angles P-C4'-P energy: -9.683
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: 6, replica: 8
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -63.537583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.537583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.537583 (E_RNA)
where:
Base-Base interactions energy: -29.085
where: short stacking energy: -26.043
Base-Backbone interact. energy: -0.076
local terms energy: -34.376163
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -9.771
flat angles C4'-P-C4' energy: -8.628
flat angles P-C4'-P energy: -1.519
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: 7, replica: 4
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -59.811791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.811791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.811791 (E_RNA)
where:
Base-Base interactions energy: -20.057
where: short stacking energy: -20.057
Base-Backbone interact. energy: -0.000
local terms energy: -39.754511
where:
bonds (distance) C4'-P energy: -8.663
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -9.471
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: -3.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -56.244266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.244266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.244266 (E_RNA)
where:
Base-Base interactions energy: -21.001
where: short stacking energy: -12.042
Base-Backbone interact. energy: -0.246
local terms energy: -34.997170
where:
bonds (distance) C4'-P energy: -7.293
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -11.078
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: 2.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -55.183408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.183408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.183408 (E_RNA)
where:
Base-Base interactions energy: -18.836
where: short stacking energy: -13.177
Base-Backbone interact. energy: -0.099
local terms energy: -36.248602
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -7.532
flat angles C4'-P-C4' energy: -8.582
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -2.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -60.952769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.952769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.952769 (E_RNA)
where:
Base-Base interactions energy: -23.701
where: short stacking energy: -23.701
Base-Backbone interact. energy: -0.008
local terms energy: -37.244152
where:
bonds (distance) C4'-P energy: -9.499
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -9.225
flat angles P-C4'-P energy: -1.771
tors. eta vs tors. theta energy: -3.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -97.718027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.718027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.718027 (E_RNA)
where:
Base-Base interactions energy: -57.420
where: short stacking energy: -22.202
Base-Backbone interact. energy: -0.043
local terms energy: -40.255585
where:
bonds (distance) C4'-P energy: -10.450
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -8.829
flat angles P-C4'-P energy: -5.700
tors. eta vs tors. theta energy: -3.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -126.199514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.199514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.199514 (E_RNA)
where:
Base-Base interactions energy: -80.910
where: short stacking energy: -33.270
Base-Backbone interact. energy: 0.145
local terms energy: -45.434499
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -9.242
flat angles C4'-P-C4' energy: -10.497
flat angles P-C4'-P energy: -8.982
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: 3, replica: 10
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -81.555633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.555633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.555633 (E_RNA)
where:
Base-Base interactions energy: -43.076
where: short stacking energy: -22.850
Base-Backbone interact. energy: -0.119
local terms energy: -38.360427
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -10.010
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -4.532
tors. eta vs tors. theta energy: -3.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -62.945074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.945074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.945074 (E_RNA)
where:
Base-Base interactions energy: -20.854
where: short stacking energy: -20.854
Base-Backbone interact. energy: -0.049
local terms energy: -42.041526
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -10.088
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -5.834
tors. eta vs tors. theta energy: -3.470
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: 9
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -81.810834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.810834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.810834 (E_RNA)
where:
Base-Base interactions energy: -34.290
where: short stacking energy: -19.837
Base-Backbone interact. energy: -0.004
local terms energy: -47.516782
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -10.688
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -8.219
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: 6, replica: 4
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -70.161972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.161972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.161972 (E_RNA)
where:
Base-Base interactions energy: -29.499
where: short stacking energy: -15.307
Base-Backbone interact. energy: -0.275
local terms energy: -40.388035
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -9.208
flat angles C4'-P-C4' energy: -9.436
flat angles P-C4'-P energy: -4.471
tors. eta vs tors. theta energy: -5.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -70.626805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.626805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.626805 (E_RNA)
where:
Base-Base interactions energy: -25.796
where: short stacking energy: -15.228
Base-Backbone interact. energy: -0.001
local terms energy: -44.829318
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -10.625
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -2.836
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: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -63.487224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.487224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.487224 (E_RNA)
where:
Base-Base interactions energy: -23.598
where: short stacking energy: -20.459
Base-Backbone interact. energy: -0.111
local terms energy: -39.777934
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -7.058
flat angles P-C4'-P energy: -5.385
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: 5
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -60.628550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.628550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.628550 (E_RNA)
where:
Base-Base interactions energy: -17.612
where: short stacking energy: -13.029
Base-Backbone interact. energy: 0.389
local terms energy: -43.405282
where:
bonds (distance) C4'-P energy: -9.966
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -6.186
tors. eta vs tors. theta energy: -3.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -52.891790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.891790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.891790 (E_RNA)
where:
Base-Base interactions energy: -20.149
where: short stacking energy: -17.853
Base-Backbone interact. energy: -0.159
local terms energy: -32.583810
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -9.011
flat angles C4'-P-C4' energy: -8.775
flat angles P-C4'-P energy: -5.740
tors. eta vs tors. theta energy: 0.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -140.733969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.733969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.733969 (E_RNA)
where:
Base-Base interactions energy: -91.437
where: short stacking energy: -38.020
Base-Backbone interact. energy: -0.906
local terms energy: -48.390984
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -4.697
tors. eta vs tors. theta energy: -8.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -111.237788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.237788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.237788 (E_RNA)
where:
Base-Base interactions energy: -65.522
where: short stacking energy: -31.692
Base-Backbone interact. energy: -0.233
local terms energy: -45.483010
where:
bonds (distance) C4'-P energy: -8.633
bonds (distance) P-C4' energy: -10.918
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -5.800
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: 3, replica: 3
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -82.102671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.102671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.102671 (E_RNA)
where:
Base-Base interactions energy: -44.709
where: short stacking energy: -22.356
Base-Backbone interact. energy: -0.076
local terms energy: -37.317842
where:
bonds (distance) C4'-P energy: -9.113
bonds (distance) P-C4' energy: -10.278
flat angles C4'-P-C4' energy: -7.327
flat angles P-C4'-P energy: -5.125
tors. eta vs tors. theta energy: -5.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -76.130732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.130732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.130732 (E_RNA)
where:
Base-Base interactions energy: -33.704
where: short stacking energy: -27.320
Base-Backbone interact. energy: -0.086
local terms energy: -42.340484
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: 0.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -85.906105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.906105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.906105 (E_RNA)
where:
Base-Base interactions energy: -44.767
where: short stacking energy: -24.432
Base-Backbone interact. energy: -0.043
local terms energy: -41.096052
where:
bonds (distance) C4'-P energy: -8.492
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -1.510
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: 6, replica: 9
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -69.877003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.877003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.877003 (E_RNA)
where:
Base-Base interactions energy: -27.981
where: short stacking energy: -27.353
Base-Backbone interact. energy: -0.517
local terms energy: -41.379443
where:
bonds (distance) C4'-P energy: -9.396
bonds (distance) P-C4' energy: -8.129
flat angles C4'-P-C4' energy: -7.742
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -5.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -59.078678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.078678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.078678 (E_RNA)
where:
Base-Base interactions energy: -29.212
where: short stacking energy: -22.587
Base-Backbone interact. energy: -0.023
local terms energy: -29.843405
where:
bonds (distance) C4'-P energy: -6.573
bonds (distance) P-C4' energy: -9.404
flat angles C4'-P-C4' energy: -8.142
flat angles P-C4'-P energy: -4.520
tors. eta vs tors. theta energy: -1.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -70.423868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.423868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.423868 (E_RNA)
where:
Base-Base interactions energy: -32.429
where: short stacking energy: -12.406
Base-Backbone interact. energy: 0.454
local terms energy: -38.447895
where:
bonds (distance) C4'-P energy: -10.626
bonds (distance) P-C4' energy: -11.729
flat angles C4'-P-C4' energy: -9.530
flat angles P-C4'-P energy: -4.451
tors. eta vs tors. theta energy: -2.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -60.710980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.710980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.710980 (E_RNA)
where:
Base-Base interactions energy: -26.164
where: short stacking energy: -16.244
Base-Backbone interact. energy: 0.679
local terms energy: -35.226315
where:
bonds (distance) C4'-P energy: -10.256
bonds (distance) P-C4' energy: -11.781
flat angles C4'-P-C4' energy: -5.810
flat angles P-C4'-P energy: -1.997
tors. eta vs tors. theta energy: -5.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -58.309803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.309803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.309803 (E_RNA)
where:
Base-Base interactions energy: -26.775
where: short stacking energy: -17.324
Base-Backbone interact. energy: -0.414
local terms energy: -31.120382
where:
bonds (distance) C4'-P energy: -8.498
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -4.648
flat angles P-C4'-P energy: -4.912
tors. eta vs tors. theta energy: -1.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -134.442277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.442277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.442277 (E_RNA)
where:
Base-Base interactions energy: -88.333
where: short stacking energy: -39.789
Base-Backbone interact. energy: -0.236
local terms energy: -45.873683
where:
bonds (distance) C4'-P energy: -9.554
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -4.676
tors. eta vs tors. theta energy: -7.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -99.713667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.713667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.713667 (E_RNA)
where:
Base-Base interactions energy: -58.790
where: short stacking energy: -22.270
Base-Backbone interact. energy: -0.093
local terms energy: -40.830714
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -11.422
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -4.481
tors. eta vs tors. theta energy: -2.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -102.528297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.528297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.528297 (E_RNA)
where:
Base-Base interactions energy: -54.778
where: short stacking energy: -29.259
Base-Backbone interact. energy: -0.047
local terms energy: -47.703407
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -9.951
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -6.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -98.370059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.370059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.370059 (E_RNA)
where:
Base-Base interactions energy: -51.552
where: short stacking energy: -30.284
Base-Backbone interact. energy: -0.047
local terms energy: -46.770528
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -8.877
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -7.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -74.522323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.522323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.522323 (E_RNA)
where:
Base-Base interactions energy: -29.140
where: short stacking energy: -24.041
Base-Backbone interact. energy: -0.001
local terms energy: -45.381731
where:
bonds (distance) C4'-P energy: -9.151
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -9.105
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -7.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -77.418408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.418408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.418408 (E_RNA)
where:
Base-Base interactions energy: -34.412
where: short stacking energy: -30.391
Base-Backbone interact. energy: -0.102
local terms energy: -42.904359
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -10.714
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -3.648
tors. eta vs tors. theta energy: -6.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -74.671067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.671067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.671067 (E_RNA)
where:
Base-Base interactions energy: -31.758
where: short stacking energy: -21.871
Base-Backbone interact. energy: -0.306
local terms energy: -42.607826
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -8.106
flat angles C4'-P-C4' energy: -8.864
flat angles P-C4'-P energy: -5.692
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: 7
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -68.437463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.437463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.437463 (E_RNA)
where:
Base-Base interactions energy: -36.023
where: short stacking energy: -17.236
Base-Backbone interact. energy: -0.055
local terms energy: -32.360088
where:
bonds (distance) C4'-P energy: -4.658
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -7.059
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -0.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -56.796665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.796665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.796665 (E_RNA)
where:
Base-Base interactions energy: -16.982
where: short stacking energy: -16.233
Base-Backbone interact. energy: -0.649
local terms energy: -39.165802
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -11.366
flat angles C4'-P-C4' energy: -7.676
flat angles P-C4'-P energy: -10.291
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: 10, replica: 5
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -62.168509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.168509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.168509 (E_RNA)
where:
Base-Base interactions energy: -23.562
where: short stacking energy: -23.562
Base-Backbone interact. energy: -0.182
local terms energy: -38.423871
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -7.940
flat angles C4'-P-C4' energy: -8.178
flat angles P-C4'-P energy: -5.670
tors. eta vs tors. theta energy: -4.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -142.959828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.959828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.959828 (E_RNA)
where:
Base-Base interactions energy: -95.963
where: short stacking energy: -30.550
Base-Backbone interact. energy: 0.629
local terms energy: -47.625361
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -8.336
flat angles P-C4'-P energy: -8.245
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: 2, replica: 2
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -125.815969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.815969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.815969 (E_RNA)
where:
Base-Base interactions energy: -75.011
where: short stacking energy: -31.284
Base-Backbone interact. energy: -0.881
local terms energy: -49.923849
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -9.526
flat angles C4'-P-C4' energy: -8.163
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -9.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -125.597952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.597952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.597952 (E_RNA)
where:
Base-Base interactions energy: -74.251
where: short stacking energy: -45.663
Base-Backbone interact. energy: -0.001
local terms energy: -51.345893
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -7.284
flat angles P-C4'-P energy: -5.493
tors. eta vs tors. theta energy: -14.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -96.196213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.196213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.196213 (E_RNA)
where:
Base-Base interactions energy: -52.801
where: short stacking energy: -34.116
Base-Backbone interact. energy: -0.006
local terms energy: -43.389571
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -10.309
flat angles C4'-P-C4' energy: -9.478
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -6.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -70.374509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.374509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.374509 (E_RNA)
where:
Base-Base interactions energy: -32.210
where: short stacking energy: -12.082
Base-Backbone interact. energy: -0.340
local terms energy: -37.825309
where:
bonds (distance) C4'-P energy: -9.814
bonds (distance) P-C4' energy: -10.193
flat angles C4'-P-C4' energy: -8.830
flat angles P-C4'-P energy: -4.722
tors. eta vs tors. theta energy: -4.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -65.516642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.516642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.516642 (E_RNA)
where:
Base-Base interactions energy: -30.669
where: short stacking energy: -18.657
Base-Backbone interact. energy: -0.124
local terms energy: -34.723429
where:
bonds (distance) C4'-P energy: -10.685
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -7.798
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: 4.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -63.797203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.797203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.797203 (E_RNA)
where:
Base-Base interactions energy: -24.004
where: short stacking energy: -24.004
Base-Backbone interact. energy: 1.234
local terms energy: -41.027015
where:
bonds (distance) C4'-P energy: -7.985
bonds (distance) P-C4' energy: -8.305
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -57.826615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.826615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.826615 (E_RNA)
where:
Base-Base interactions energy: -19.259
where: short stacking energy: -18.429
Base-Backbone interact. energy: -0.274
local terms energy: -38.294343
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -8.441
flat angles P-C4'-P energy: -6.531
tors. eta vs tors. theta energy: -1.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -59.947068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.947068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.947068 (E_RNA)
where:
Base-Base interactions energy: -25.168
where: short stacking energy: -9.051
Base-Backbone interact. energy: -0.935
local terms energy: -33.844355
where:
bonds (distance) C4'-P energy: -9.146
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -10.161
flat angles P-C4'-P energy: -4.393
tors. eta vs tors. theta energy: 1.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -53.549312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.549312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.549312 (E_RNA)
where:
Base-Base interactions energy: -13.512
where: short stacking energy: -13.199
Base-Backbone interact. energy: -0.015
local terms energy: -40.022602
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -10.644
flat angles C4'-P-C4' energy: -7.212
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -4.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -145.741448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.741448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.741448 (E_RNA)
where:
Base-Base interactions energy: -94.547
where: short stacking energy: -39.020
Base-Backbone interact. energy: 0.144
local terms energy: -51.338977
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -5.797
tors. eta vs tors. theta energy: -9.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -122.684639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.684639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.684639 (E_RNA)
where:
Base-Base interactions energy: -76.169
where: short stacking energy: -33.804
Base-Backbone interact. energy: -0.021
local terms energy: -46.494374
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -7.849
flat angles C4'-P-C4' energy: -9.311
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -9.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -130.425021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.425021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.425021 (E_RNA)
where:
Base-Base interactions energy: -80.437
where: short stacking energy: -32.875
Base-Backbone interact. energy: -0.602
local terms energy: -49.385267
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -3.749
tors. eta vs tors. theta energy: -8.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -77.274655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.274655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.274655 (E_RNA)
where:
Base-Base interactions energy: -41.005
where: short stacking energy: -25.547
Base-Backbone interact. energy: 0.505
local terms energy: -36.774552
where:
bonds (distance) C4'-P energy: -8.471
bonds (distance) P-C4' energy: -9.576
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: 1.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -79.126988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.126988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.126988 (E_RNA)
where:
Base-Base interactions energy: -31.660
where: short stacking energy: -23.192
Base-Backbone interact. energy: -0.002
local terms energy: -47.465059
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -11.524
flat angles C4'-P-C4' energy: -8.061
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -7.365
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: 7
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -78.821010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.821010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.821010 (E_RNA)
where:
Base-Base interactions energy: -38.388
where: short stacking energy: -29.599
Base-Backbone interact. energy: 2.275
local terms energy: -42.708656
where:
bonds (distance) C4'-P energy: -8.947
bonds (distance) P-C4' energy: -10.407
flat angles C4'-P-C4' energy: -7.681
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -8.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -66.648916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.648916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.648916 (E_RNA)
where:
Base-Base interactions energy: -25.138
where: short stacking energy: -25.138
Base-Backbone interact. energy: -0.089
local terms energy: -41.422498
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -9.767
flat angles C4'-P-C4' energy: -11.547
flat angles P-C4'-P energy: -5.197
tors. eta vs tors. theta energy: -5.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -60.293396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.293396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.293396 (E_RNA)
where:
Base-Base interactions energy: -15.179
where: short stacking energy: -15.179
Base-Backbone interact. energy: -0.000
local terms energy: -45.113649
where:
bonds (distance) C4'-P energy: -10.417
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -11.058
flat angles P-C4'-P energy: -5.147
tors. eta vs tors. theta energy: -5.373
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: 5
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -59.730178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.730178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.730178 (E_RNA)
where:
Base-Base interactions energy: -21.178
where: short stacking energy: -21.178
Base-Backbone interact. energy: -0.018
local terms energy: -38.534179
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -10.130
flat angles C4'-P-C4' energy: -11.050
flat angles P-C4'-P energy: -2.764
tors. eta vs tors. theta energy: -3.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -52.931060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.931060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.931060 (E_RNA)
where:
Base-Base interactions energy: -16.184
where: short stacking energy: -16.184
Base-Backbone interact. energy: -0.025
local terms energy: -36.722101
where:
bonds (distance) C4'-P energy: -7.647
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -8.978
flat angles P-C4'-P energy: -5.664
tors. eta vs tors. theta energy: -2.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -132.227337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.227337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.227337 (E_RNA)
where:
Base-Base interactions energy: -83.891
where: short stacking energy: -41.874
Base-Backbone interact. energy: -0.005
local terms energy: -48.331302
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -8.859
flat angles P-C4'-P energy: -5.500
tors. eta vs tors. theta energy: -12.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -134.558271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.558271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.558271 (E_RNA)
where:
Base-Base interactions energy: -92.047
where: short stacking energy: -35.970
Base-Backbone interact. energy: 0.012
local terms energy: -42.523605
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -10.386
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -4.404
tors. eta vs tors. theta energy: -5.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -89.995074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.995074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.995074 (E_RNA)
where:
Base-Base interactions energy: -41.586
where: short stacking energy: -30.377
Base-Backbone interact. energy: -0.188
local terms energy: -48.220970
where:
bonds (distance) C4'-P energy: -8.724
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -6.119
tors. eta vs tors. theta energy: -8.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -118.114156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.114156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.114156 (E_RNA)
where:
Base-Base interactions energy: -76.470
where: short stacking energy: -32.097
Base-Backbone interact. energy: 1.027
local terms energy: -42.670706
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -4.207
flat angles P-C4'-P energy: -7.756
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: 5, replica: 7
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -72.619537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.619537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.619537 (E_RNA)
where:
Base-Base interactions energy: -38.374
where: short stacking energy: -22.022
Base-Backbone interact. energy: -1.378
local terms energy: -32.866769
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -6.269
flat angles C4'-P-C4' energy: -6.186
flat angles P-C4'-P energy: -4.072
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: 6, replica: 4
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -63.208529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.208529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.208529 (E_RNA)
where:
Base-Base interactions energy: -21.608
where: short stacking energy: -21.278
Base-Backbone interact. energy: -0.087
local terms energy: -41.513382
where:
bonds (distance) C4'-P energy: -8.653
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -0.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -66.741689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.741689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.741689 (E_RNA)
where:
Base-Base interactions energy: -26.680
where: short stacking energy: -24.027
Base-Backbone interact. energy: -0.011
local terms energy: -40.050215
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -10.243
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -5.152
tors. eta vs tors. theta energy: -3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -55.734198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.734198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.734198 (E_RNA)
where:
Base-Base interactions energy: -15.767
where: short stacking energy: -11.509
Base-Backbone interact. energy: 0.496
local terms energy: -40.463042
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -10.733
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -1.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -62.643589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.643589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.643589 (E_RNA)
where:
Base-Base interactions energy: -23.801
where: short stacking energy: -23.801
Base-Backbone interact. energy: -0.001
local terms energy: -38.841623
where:
bonds (distance) C4'-P energy: -7.445
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -8.683
flat angles P-C4'-P energy: -4.292
tors. eta vs tors. theta energy: -5.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -67.758900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.758900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.758900 (E_RNA)
where:
Base-Base interactions energy: -27.441
where: short stacking energy: -26.322
Base-Backbone interact. energy: -0.004
local terms energy: -40.313472
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -11.243
flat angles C4'-P-C4' energy: -4.207
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -6.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -116.880925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.880925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.880925 (E_RNA)
where:
Base-Base interactions energy: -64.302
where: short stacking energy: -31.678
Base-Backbone interact. energy: -0.002
local terms energy: -52.576933
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -6.068
tors. eta vs tors. theta energy: -10.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -143.143323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.143323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.143323 (E_RNA)
where:
Base-Base interactions energy: -99.677
where: short stacking energy: -37.370
Base-Backbone interact. energy: 0.598
local terms energy: -44.064442
where:
bonds (distance) C4'-P energy: -8.376
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -5.902
tors. eta vs tors. theta energy: -7.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -97.061387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.061387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.061387 (E_RNA)
where:
Base-Base interactions energy: -58.669
where: short stacking energy: -17.440
Base-Backbone interact. energy: -1.354
local terms energy: -37.038921
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -10.006
flat angles P-C4'-P energy: -3.201
tors. eta vs tors. theta energy: -0.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -120.948615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.948615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.948615 (E_RNA)
where:
Base-Base interactions energy: -80.477
where: short stacking energy: -31.327
Base-Backbone interact. energy: 0.124
local terms energy: -40.595135
where:
bonds (distance) C4'-P energy: -8.165
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -5.543
tors. eta vs tors. theta energy: -4.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -72.772575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.772575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.772575 (E_RNA)
where:
Base-Base interactions energy: -31.067
where: short stacking energy: -28.271
Base-Backbone interact. energy: -0.032
local terms energy: -41.673529
where:
bonds (distance) C4'-P energy: -9.607
bonds (distance) P-C4' energy: -9.301
flat angles C4'-P-C4' energy: -9.071
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -5.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -68.043483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.043483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.043483 (E_RNA)
where:
Base-Base interactions energy: -33.023
where: short stacking energy: -17.372
Base-Backbone interact. energy: -0.185
local terms energy: -34.835344
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -8.534
flat angles C4'-P-C4' energy: -9.305
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: 2.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -67.677891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.677891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.677891 (E_RNA)
where:
Base-Base interactions energy: -24.245
where: short stacking energy: -22.327
Base-Backbone interact. energy: -0.132
local terms energy: -43.300539
where:
bonds (distance) C4'-P energy: -9.503
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -9.428
flat angles P-C4'-P energy: -6.186
tors. eta vs tors. theta energy: -5.323
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: 8, replica: 8
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -71.079683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.079683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.079683 (E_RNA)
where:
Base-Base interactions energy: -29.371
where: short stacking energy: -20.964
Base-Backbone interact. energy: -0.041
local terms energy: -41.667935
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -8.778
flat angles C4'-P-C4' energy: -7.780
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -7.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -59.006712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.006712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.006712 (E_RNA)
where:
Base-Base interactions energy: -25.726
where: short stacking energy: -11.896
Base-Backbone interact. energy: -0.107
local terms energy: -33.173274
where:
bonds (distance) C4'-P energy: -7.466
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -8.302
flat angles P-C4'-P energy: -2.902
tors. eta vs tors. theta energy: -2.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -54.011280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.011280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.011280 (E_RNA)
where:
Base-Base interactions energy: -16.585
where: short stacking energy: -16.585
Base-Backbone interact. energy: -0.154
local terms energy: -37.272718
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -11.497
flat angles C4'-P-C4' energy: -2.486
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -5.090
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: 6
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -134.918033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.918033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.918033 (E_RNA)
where:
Base-Base interactions energy: -82.902
where: short stacking energy: -41.440
Base-Backbone interact. energy: -0.111
local terms energy: -51.905510
where:
bonds (distance) C4'-P energy: -9.183
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -9.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -120.284323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.284323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.284323 (E_RNA)
where:
Base-Base interactions energy: -76.483
where: short stacking energy: -28.999
Base-Backbone interact. energy: -0.049
local terms energy: -43.752268
where:
bonds (distance) C4'-P energy: -9.866
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -9.742
flat angles P-C4'-P energy: -4.923
tors. eta vs tors. theta energy: -8.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -91.168792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.168792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.168792 (E_RNA)
where:
Base-Base interactions energy: -45.240
where: short stacking energy: -27.601
Base-Backbone interact. energy: -0.372
local terms energy: -45.557112
where:
bonds (distance) C4'-P energy: -8.546
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -6.878
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: 4, replica: 1
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -94.950765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.950765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.950765 (E_RNA)
where:
Base-Base interactions energy: -49.458
where: short stacking energy: -25.185
Base-Backbone interact. energy: -0.189
local terms energy: -45.303669
where:
bonds (distance) C4'-P energy: -9.556
bonds (distance) P-C4' energy: -10.451
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -7.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -73.331794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.331794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.331794 (E_RNA)
where:
Base-Base interactions energy: -35.647
where: short stacking energy: -24.309
Base-Backbone interact. energy: -0.113
local terms energy: -37.572005
where:
bonds (distance) C4'-P energy: -8.588
bonds (distance) P-C4' energy: -10.008
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -2.636
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: 6, replica: 7
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -68.069439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.069439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.069439 (E_RNA)
where:
Base-Base interactions energy: -24.333
where: short stacking energy: -19.904
Base-Backbone interact. energy: -0.086
local terms energy: -43.649952
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -9.894
flat angles P-C4'-P energy: -5.853
tors. eta vs tors. theta energy: -3.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -60.541443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.541443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.541443 (E_RNA)
where:
Base-Base interactions energy: -24.732
where: short stacking energy: -1.326
Base-Backbone interact. energy: -0.573
local terms energy: -35.236700
where:
bonds (distance) C4'-P energy: -6.754
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -9.255
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: 2.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -61.773354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.773354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.773354 (E_RNA)
where:
Base-Base interactions energy: -24.907
where: short stacking energy: -18.620
Base-Backbone interact. energy: 0.973
local terms energy: -37.839011
where:
bonds (distance) C4'-P energy: -8.001
bonds (distance) P-C4' energy: -10.601
flat angles C4'-P-C4' energy: -7.483
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: -6.464
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: 9, replica: 5
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -51.700564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.700564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.700564 (E_RNA)
where:
Base-Base interactions energy: -14.568
where: short stacking energy: -14.568
Base-Backbone interact. energy: -0.056
local terms energy: -37.076573
where:
bonds (distance) C4'-P energy: -6.339
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -7.106
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -0.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -59.089474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.089474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.089474 (E_RNA)
where:
Base-Base interactions energy: -19.527
where: short stacking energy: -17.785
Base-Backbone interact. energy: -0.002
local terms energy: -39.560694
where:
bonds (distance) C4'-P energy: -8.315
bonds (distance) P-C4' energy: -11.236
flat angles C4'-P-C4' energy: -7.802
flat angles P-C4'-P energy: -5.640
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: 1, replica: 6
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -109.017238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.017238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.017238 (E_RNA)
where:
Base-Base interactions energy: -64.157
where: short stacking energy: -30.775
Base-Backbone interact. energy: -0.398
local terms energy: -44.462135
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -8.314
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -4.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -109.028443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.028443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.028443 (E_RNA)
where:
Base-Base interactions energy: -63.290
where: short stacking energy: -37.726
Base-Backbone interact. energy: -0.354
local terms energy: -45.383835
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -9.063
flat angles C4'-P-C4' energy: -11.479
flat angles P-C4'-P energy: -4.165
tors. eta vs tors. theta energy: -9.788
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: 3, replica: 2
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -102.647304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.647304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.647304 (E_RNA)
where:
Base-Base interactions energy: -57.674
where: short stacking energy: -26.338
Base-Backbone interact. energy: -0.102
local terms energy: -44.871644
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -8.613
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -5.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -89.331527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.331527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.331527 (E_RNA)
where:
Base-Base interactions energy: -54.082
where: short stacking energy: -24.835
Base-Backbone interact. energy: -0.016
local terms energy: -35.233740
where:
bonds (distance) C4'-P energy: -9.946
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -6.320
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: 0.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -72.456324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.456324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.456324 (E_RNA)
where:
Base-Base interactions energy: -23.643
where: short stacking energy: -22.569
Base-Backbone interact. energy: -0.006
local terms energy: -48.806422
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -10.378
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -68.663518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.663518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.663518 (E_RNA)
where:
Base-Base interactions energy: -28.855
where: short stacking energy: -24.109
Base-Backbone interact. energy: 0.196
local terms energy: -40.004759
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -7.918
flat angles C4'-P-C4' energy: -9.441
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -2.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -69.358817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.358817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.358817 (E_RNA)
where:
Base-Base interactions energy: -33.630
where: short stacking energy: -16.550
Base-Backbone interact. energy: -0.017
local terms energy: -35.711748
where:
bonds (distance) C4'-P energy: -8.881
bonds (distance) P-C4' energy: -11.828
flat angles C4'-P-C4' energy: -8.456
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: 1.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -61.496625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.496625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.496625 (E_RNA)
where:
Base-Base interactions energy: -25.281
where: short stacking energy: -23.325
Base-Backbone interact. energy: -0.047
local terms energy: -36.168646
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -7.530
flat angles C4'-P-C4' energy: -7.549
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: -3.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -55.375950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.375950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.375950 (E_RNA)
where:
Base-Base interactions energy: -21.613
where: short stacking energy: -21.613
Base-Backbone interact. energy: -0.164
local terms energy: -33.598530
where:
bonds (distance) C4'-P energy: -6.621
bonds (distance) P-C4' energy: -8.287
flat angles C4'-P-C4' energy: -9.287
flat angles P-C4'-P energy: -3.991
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: 10, replica: 10
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -51.806621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.806621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.806621 (E_RNA)
where:
Base-Base interactions energy: -23.834
where: short stacking energy: -15.145
Base-Backbone interact. energy: 1.541
local terms energy: -29.513738
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -7.484
flat angles C4'-P-C4' energy: -7.591
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: 4.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -113.852845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.852845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.852845 (E_RNA)
where:
Base-Base interactions energy: -67.410
where: short stacking energy: -24.330
Base-Backbone interact. energy: -1.697
local terms energy: -44.746299
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -10.377
flat angles C4'-P-C4' energy: -8.209
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -5.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -118.813151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.813151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.813151 (E_RNA)
where:
Base-Base interactions energy: -66.633
where: short stacking energy: -39.175
Base-Backbone interact. energy: -0.247
local terms energy: -51.932439
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -12.342
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -6.819
tors. eta vs tors. theta energy: -8.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -100.143000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.143000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.143000 (E_RNA)
where:
Base-Base interactions energy: -59.839
where: short stacking energy: -27.908
Base-Backbone interact. energy: -0.193
local terms energy: -40.110932
where:
bonds (distance) C4'-P energy: -10.275
bonds (distance) P-C4' energy: -8.880
flat angles C4'-P-C4' energy: -10.614
flat angles P-C4'-P energy: -6.800
tors. eta vs tors. theta energy: -3.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -70.990743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.990743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.990743 (E_RNA)
where:
Base-Base interactions energy: -34.325
where: short stacking energy: -18.502
Base-Backbone interact. energy: -0.163
local terms energy: -36.503102
where:
bonds (distance) C4'-P energy: -8.918
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -8.701
flat angles P-C4'-P energy: -4.497
tors. eta vs tors. theta energy: -3.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -67.166826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.166826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.166826 (E_RNA)
where:
Base-Base interactions energy: -22.464
where: short stacking energy: -19.371
Base-Backbone interact. energy: -0.042
local terms energy: -44.661696
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -7.871
flat angles P-C4'-P energy: -5.840
tors. eta vs tors. theta energy: -6.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -68.799653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.799653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.799653 (E_RNA)
where:
Base-Base interactions energy: -29.358
where: short stacking energy: -23.618
Base-Backbone interact. energy: -0.086
local terms energy: -39.355454
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -8.429
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: -2.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -65.309127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.309127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.309127 (E_RNA)
where:
Base-Base interactions energy: -26.797
where: short stacking energy: -22.378
Base-Backbone interact. energy: -0.063
local terms energy: -38.449613
where:
bonds (distance) C4'-P energy: -9.334
bonds (distance) P-C4' energy: -9.024
flat angles C4'-P-C4' energy: -7.276
flat angles P-C4'-P energy: -5.896
tors. eta vs tors. theta energy: -6.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -52.130142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.130142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.130142 (E_RNA)
where:
Base-Base interactions energy: -14.828
where: short stacking energy: -14.828
Base-Backbone interact. energy: -0.140
local terms energy: -37.162386
where:
bonds (distance) C4'-P energy: -8.633
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -4.838
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: 9, replica: 10
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -55.947484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.947484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.947484 (E_RNA)
where:
Base-Base interactions energy: -23.148
where: short stacking energy: -23.148
Base-Backbone interact. energy: 0.250
local terms energy: -33.048997
where:
bonds (distance) C4'-P energy: -9.326
bonds (distance) P-C4' energy: -0.844
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -3.267
tors. eta vs tors. theta energy: -6.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -47.882955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.882955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.882955 (E_RNA)
where:
Base-Base interactions energy: -8.523
where: short stacking energy: -5.018
Base-Backbone interact. energy: -0.140
local terms energy: -39.219791
where:
bonds (distance) C4'-P energy: -10.305
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -8.930
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: 0.109
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: 3
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -130.792130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.792130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.792130 (E_RNA)
where:
Base-Base interactions energy: -79.801
where: short stacking energy: -30.742
Base-Backbone interact. energy: -0.287
local terms energy: -50.704980
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -6.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -115.888144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.888144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.888144 (E_RNA)
where:
Base-Base interactions energy: -69.046
where: short stacking energy: -32.255
Base-Backbone interact. energy: -0.018
local terms energy: -46.824769
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -1.682
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -101.806192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.806192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.806192 (E_RNA)
where:
Base-Base interactions energy: -61.869
where: short stacking energy: -34.688
Base-Backbone interact. energy: 0.889
local terms energy: -40.825940
where:
bonds (distance) C4'-P energy: -8.492
bonds (distance) P-C4' energy: -11.426
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -4.943
tors. eta vs tors. theta energy: -5.254
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: 4, replica: 9
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -87.674161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.674161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.674161 (E_RNA)
where:
Base-Base interactions energy: -39.141
where: short stacking energy: -32.056
Base-Backbone interact. energy: -0.004
local terms energy: -48.529926
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -8.720
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -9.044
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: 1
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -70.233003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.233003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.233003 (E_RNA)
where:
Base-Base interactions energy: -33.745
where: short stacking energy: -19.708
Base-Backbone interact. energy: 0.378
local terms energy: -36.866050
where:
bonds (distance) C4'-P energy: -8.865
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -9.622
flat angles P-C4'-P energy: -1.290
tors. eta vs tors. theta energy: -5.961
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: 8
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -75.261891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.261891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.261891 (E_RNA)
where:
Base-Base interactions energy: -36.972
where: short stacking energy: -27.994
Base-Backbone interact. energy: -0.507
local terms energy: -37.782807
where:
bonds (distance) C4'-P energy: -9.597
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -8.433
flat angles P-C4'-P energy: -5.744
tors. eta vs tors. theta energy: -1.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -65.156832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.156832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.156832 (E_RNA)
where:
Base-Base interactions energy: -25.727
where: short stacking energy: -22.012
Base-Backbone interact. energy: -0.791
local terms energy: -38.639163
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -8.340
flat angles P-C4'-P energy: -10.456
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: 8, replica: 7
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -59.974961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.974961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.974961 (E_RNA)
where:
Base-Base interactions energy: -23.407
where: short stacking energy: -15.456
Base-Backbone interact. energy: -0.086
local terms energy: -36.481683
where:
bonds (distance) C4'-P energy: -9.949
bonds (distance) P-C4' energy: -9.759
flat angles C4'-P-C4' energy: -9.810
flat angles P-C4'-P energy: -6.855
tors. eta vs tors. theta energy: -0.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -57.257289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.257289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.257289 (E_RNA)
where:
Base-Base interactions energy: -18.498
where: short stacking energy: -16.060
Base-Backbone interact. energy: -0.055
local terms energy: -38.704128
where:
bonds (distance) C4'-P energy: -9.697
bonds (distance) P-C4' energy: -9.894
flat angles C4'-P-C4' energy: -10.364
flat angles P-C4'-P energy: -4.499
tors. eta vs tors. theta energy: -4.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -65.089557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.089557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.089557 (E_RNA)
where:
Base-Base interactions energy: -30.531
where: short stacking energy: -11.078
Base-Backbone interact. energy: -0.917
local terms energy: -33.641339
where:
bonds (distance) C4'-P energy: -6.302
bonds (distance) P-C4' energy: -11.557
flat angles C4'-P-C4' energy: -8.318
flat angles P-C4'-P energy: -5.564
tors. eta vs tors. theta energy: -1.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -131.264097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.264097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.264097 (E_RNA)
where:
Base-Base interactions energy: -80.968
where: short stacking energy: -30.036
Base-Backbone interact. energy: 0.154
local terms energy: -50.450165
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -11.424
flat angles P-C4'-P energy: -8.702
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: 2, replica: 2
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -100.888497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.888497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.888497 (E_RNA)
where:
Base-Base interactions energy: -55.583
where: short stacking energy: -24.682
Base-Backbone interact. energy: -0.145
local terms energy: -45.160409
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -8.876
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -7.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -101.793937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.793937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.793937 (E_RNA)
where:
Base-Base interactions energy: -54.725
where: short stacking energy: -28.196
Base-Backbone interact. energy: -0.035
local terms energy: -47.033795
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -10.355
flat angles C4'-P-C4' energy: -7.776
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -8.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -89.001636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.001636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.001636 (E_RNA)
where:
Base-Base interactions energy: -40.424
where: short stacking energy: -37.717
Base-Backbone interact. energy: -0.065
local terms energy: -48.512576
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -8.647
flat angles C4'-P-C4' energy: -10.012
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -10.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -79.871883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.871883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.871883 (E_RNA)
where:
Base-Base interactions energy: -36.545
where: short stacking energy: -22.435
Base-Backbone interact. energy: 0.454
local terms energy: -43.780919
where:
bonds (distance) C4'-P energy: -9.560
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -8.623
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: -6.252
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: 1
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -69.760128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.760128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.760128 (E_RNA)
where:
Base-Base interactions energy: -22.267
where: short stacking energy: -21.155
Base-Backbone interact. energy: -0.015
local terms energy: -47.478264
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -9.154
flat angles P-C4'-P energy: -8.576
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: 7, replica: 7
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -69.346711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.346711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.346711 (E_RNA)
where:
Base-Base interactions energy: -26.234
where: short stacking energy: -17.596
Base-Backbone interact. energy: -0.005
local terms energy: -43.108202
where:
bonds (distance) C4'-P energy: -9.493
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -4.321
tors. eta vs tors. theta energy: -4.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -64.008268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.008268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.008268 (E_RNA)
where:
Base-Base interactions energy: -26.313
where: short stacking energy: -23.985
Base-Backbone interact. energy: -0.069
local terms energy: -37.625967
where:
bonds (distance) C4'-P energy: -5.018
bonds (distance) P-C4' energy: -8.703
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -4.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -56.622732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.622732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.622732 (E_RNA)
where:
Base-Base interactions energy: -24.484
where: short stacking energy: -7.009
Base-Backbone interact. energy: -0.448
local terms energy: -31.690505
where:
bonds (distance) C4'-P energy: -10.127
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -8.366
flat angles P-C4'-P energy: -3.886
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: 10
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -55.568835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.568835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.568835 (E_RNA)
where:
Base-Base interactions energy: -18.262
where: short stacking energy: -16.607
Base-Backbone interact. energy: -0.088
local terms energy: -37.218668
where:
bonds (distance) C4'-P energy: -9.056
bonds (distance) P-C4' energy: -8.375
flat angles C4'-P-C4' energy: -9.429
flat angles P-C4'-P energy: -5.890
tors. eta vs tors. theta energy: -4.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -136.809713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.809713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.809713 (E_RNA)
where:
Base-Base interactions energy: -86.970
where: short stacking energy: -27.832
Base-Backbone interact. energy: 0.096
local terms energy: -49.936007
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -10.584
flat angles P-C4'-P energy: -9.376
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: 2, replica: 6
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -105.508643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.508643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.508643 (E_RNA)
where:
Base-Base interactions energy: -59.170
where: short stacking energy: -31.410
Base-Backbone interact. energy: -0.330
local terms energy: -46.008622
where:
bonds (distance) C4'-P energy: -8.430
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -10.367
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -7.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -106.481177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.481177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.481177 (E_RNA)
where:
Base-Base interactions energy: -65.358
where: short stacking energy: -27.347
Base-Backbone interact. energy: -0.064
local terms energy: -41.058925
where:
bonds (distance) C4'-P energy: -7.772
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -11.118
flat angles P-C4'-P energy: -5.215
tors. eta vs tors. theta energy: -4.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -98.743418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.743418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.743418 (E_RNA)
where:
Base-Base interactions energy: -46.183
where: short stacking energy: -36.410
Base-Backbone interact. energy: -0.094
local terms energy: -52.466434
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -10.227
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -9.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -75.928258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.928258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.928258 (E_RNA)
where:
Base-Base interactions energy: -29.403
where: short stacking energy: -29.403
Base-Backbone interact. energy: -0.000
local terms energy: -46.525186
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -8.971
flat angles C4'-P-C4' energy: -10.190
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -7.691
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: 281
Temperature: 1.150000
Total energy: -62.458738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.458738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.458738 (E_RNA)
where:
Base-Base interactions energy: -27.518
where: short stacking energy: -22.514
Base-Backbone interact. energy: -0.101
local terms energy: -34.839696
where:
bonds (distance) C4'-P energy: -9.038
bonds (distance) P-C4' energy: -8.983
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -5.126
tors. eta vs tors. theta energy: -0.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -70.171835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.171835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.171835 (E_RNA)
where:
Base-Base interactions energy: -31.450
where: short stacking energy: -9.194
Base-Backbone interact. energy: 0.054
local terms energy: -38.776253
where:
bonds (distance) C4'-P energy: -8.270
bonds (distance) P-C4' energy: -8.756
flat angles C4'-P-C4' energy: -8.878
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -3.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -68.031309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.031309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.031309 (E_RNA)
where:
Base-Base interactions energy: -38.955
where: short stacking energy: -19.498
Base-Backbone interact. energy: -0.032
local terms energy: -29.044233
where:
bonds (distance) C4'-P energy: -7.405
bonds (distance) P-C4' energy: -5.944
flat angles C4'-P-C4' energy: -8.254
flat angles P-C4'-P energy: -2.791
tors. eta vs tors. theta energy: -4.652
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: 5
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -67.997245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.997245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.997245 (E_RNA)
where:
Base-Base interactions energy: -29.704
where: short stacking energy: -20.652
Base-Backbone interact. energy: -0.000
local terms energy: -38.293005
where:
bonds (distance) C4'-P energy: -7.967
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -9.244
flat angles P-C4'-P energy: -3.831
tors. eta vs tors. theta energy: -4.936
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: 10
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -53.796252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.796252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.796252 (E_RNA)
where:
Base-Base interactions energy: -14.533
where: short stacking energy: -11.595
Base-Backbone interact. energy: -0.751
local terms energy: -38.512529
where:
bonds (distance) C4'-P energy: -4.436
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -0.710
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: 3
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -134.850160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.850160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.850160 (E_RNA)
where:
Base-Base interactions energy: -95.041
where: short stacking energy: -28.582
Base-Backbone interact. energy: -0.429
local terms energy: -39.379853
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -8.756
flat angles C4'-P-C4' energy: -8.011
flat angles P-C4'-P energy: -5.825
tors. eta vs tors. theta energy: -6.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -112.767609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.767609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.767609 (E_RNA)
where:
Base-Base interactions energy: -65.743
where: short stacking energy: -31.257
Base-Backbone interact. energy: -0.646
local terms energy: -46.378988
where:
bonds (distance) C4'-P energy: -9.647
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -10.233
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -6.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -110.876404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.876404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.876404 (E_RNA)
where:
Base-Base interactions energy: -67.505
where: short stacking energy: -33.584
Base-Backbone interact. energy: -0.181
local terms energy: -43.190117
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -5.581
flat angles P-C4'-P energy: -5.086
tors. eta vs tors. theta energy: -7.387
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: 4, replica: 8
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -89.660066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.660066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.660066 (E_RNA)
where:
Base-Base interactions energy: -48.583
where: short stacking energy: -30.410
Base-Backbone interact. energy: -0.095
local terms energy: -40.981782
where:
bonds (distance) C4'-P energy: -7.357
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: -3.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -70.602333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.602333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.602333 (E_RNA)
where:
Base-Base interactions energy: -31.098
where: short stacking energy: -16.259
Base-Backbone interact. energy: -0.627
local terms energy: -38.877008
where:
bonds (distance) C4'-P energy: -9.342
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -9.070
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -0.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -60.743735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.743735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.743735 (E_RNA)
where:
Base-Base interactions energy: -27.045
where: short stacking energy: -17.284
Base-Backbone interact. energy: 0.869
local terms energy: -34.568267
where:
bonds (distance) C4'-P energy: -8.066
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -6.399
flat angles P-C4'-P energy: -5.484
tors. eta vs tors. theta energy: -1.992
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: 282
Temperature: 1.200000
Total energy: -65.295985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.295985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.295985 (E_RNA)
where:
Base-Base interactions energy: -28.480
where: short stacking energy: -22.532
Base-Backbone interact. energy: -0.061
local terms energy: -36.754809
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -7.725
flat angles P-C4'-P energy: -3.849
tors. eta vs tors. theta energy: -1.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -61.159711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.159711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.159711 (E_RNA)
where:
Base-Base interactions energy: -33.122
where: short stacking energy: -16.312
Base-Backbone interact. energy: -0.595
local terms energy: -27.443569
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -11.126
flat angles C4'-P-C4' energy: -7.653
flat angles P-C4'-P energy: -5.157
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: 10
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -54.037388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.037388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.037388 (E_RNA)
where:
Base-Base interactions energy: -24.904
where: short stacking energy: -12.502
Base-Backbone interact. energy: -0.202
local terms energy: -28.930900
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -2.063
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: 4.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -49.984555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.984555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.984555 (E_RNA)
where:
Base-Base interactions energy: -11.818
where: short stacking energy: -11.818
Base-Backbone interact. energy: -0.332
local terms energy: -37.834280
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -9.224
flat angles C4'-P-C4' energy: -8.900
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -0.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -141.578348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.578348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.578348 (E_RNA)
where:
Base-Base interactions energy: -90.820
where: short stacking energy: -44.006
Base-Backbone interact. energy: -0.976
local terms energy: -49.782340
where:
bonds (distance) C4'-P energy: -7.706
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -11.090
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -9.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -98.094691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.094691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.094691 (E_RNA)
where:
Base-Base interactions energy: -52.550
where: short stacking energy: -25.033
Base-Backbone interact. energy: -0.213
local terms energy: -45.331504
where:
bonds (distance) C4'-P energy: -9.663
bonds (distance) P-C4' energy: -10.389
flat angles C4'-P-C4' energy: -11.015
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -6.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -101.054795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.054795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.054795 (E_RNA)
where:
Base-Base interactions energy: -55.233
where: short stacking energy: -28.387
Base-Backbone interact. energy: -0.095
local terms energy: -45.727159
where:
bonds (distance) C4'-P energy: -9.476
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -6.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -83.809792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.809792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.809792 (E_RNA)
where:
Base-Base interactions energy: -40.618
where: short stacking energy: -25.634
Base-Backbone interact. energy: -0.732
local terms energy: -42.459687
where:
bonds (distance) C4'-P energy: -7.578
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -5.867
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -5.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -99.743366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.743366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.743366 (E_RNA)
where:
Base-Base interactions energy: -59.986
where: short stacking energy: -33.521
Base-Backbone interact. energy: -0.009
local terms energy: -39.747714
where:
bonds (distance) C4'-P energy: -6.461
bonds (distance) P-C4' energy: -9.612
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -4.621
tors. eta vs tors. theta energy: -8.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -77.270692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.270692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.270692 (E_RNA)
where:
Base-Base interactions energy: -41.814
where: short stacking energy: -20.761
Base-Backbone interact. energy: -0.933
local terms energy: -34.523940
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -7.641
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: -0.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -77.939045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.939045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.939045 (E_RNA)
where:
Base-Base interactions energy: -33.726
where: short stacking energy: -22.606
Base-Backbone interact. energy: -1.013
local terms energy: -43.200088
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -10.327
flat angles C4'-P-C4' energy: -10.386
flat angles P-C4'-P energy: -5.472
tors. eta vs tors. theta energy: -4.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -63.734756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.734756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.734756 (E_RNA)
where:
Base-Base interactions energy: -35.402
where: short stacking energy: -24.869
Base-Backbone interact. energy: -0.048
local terms energy: -28.284793
where:
bonds (distance) C4'-P energy: -8.154
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -5.957
flat angles P-C4'-P energy: -2.128
tors. eta vs tors. theta energy: -0.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -58.133817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.133817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.133817 (E_RNA)
where:
Base-Base interactions energy: -31.321
where: short stacking energy: -7.714
Base-Backbone interact. energy: -0.201
local terms energy: -26.611957
where:
bonds (distance) C4'-P energy: -8.430
bonds (distance) P-C4' energy: -11.100
flat angles C4'-P-C4' energy: -4.787
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: 4.309
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: 5
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -68.604915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.604915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.604915 (E_RNA)
where:
Base-Base interactions energy: -32.581
where: short stacking energy: -17.419
Base-Backbone interact. energy: -0.074
local terms energy: -35.949681
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -9.456
flat angles P-C4'-P energy: -6.113
tors. eta vs tors. theta energy: 3.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -144.152944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.152944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.152944 (E_RNA)
where:
Base-Base interactions energy: -92.812
where: short stacking energy: -43.870
Base-Backbone interact. energy: 0.272
local terms energy: -51.612017
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -9.846
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -9.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -130.737489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.737489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.737489 (E_RNA)
where:
Base-Base interactions energy: -81.726
where: short stacking energy: -28.800
Base-Backbone interact. energy: -0.820
local terms energy: -48.191255
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -6.218
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: 3, replica: 6
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -122.851126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.851126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.851126 (E_RNA)
where:
Base-Base interactions energy: -76.780
where: short stacking energy: -33.255
Base-Backbone interact. energy: -0.106
local terms energy: -45.964193
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -10.530
flat angles C4'-P-C4' energy: -10.300
flat angles P-C4'-P energy: -5.259
tors. eta vs tors. theta energy: -8.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -97.437643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.437643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.437643 (E_RNA)
where:
Base-Base interactions energy: -47.463
where: short stacking energy: -34.707
Base-Backbone interact. energy: -0.061
local terms energy: -49.914007
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -11.765
flat angles C4'-P-C4' energy: -7.331
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -9.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -72.311790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.311790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.311790 (E_RNA)
where:
Base-Base interactions energy: -29.810
where: short stacking energy: -27.971
Base-Backbone interact. energy: 0.223
local terms energy: -42.725288
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -8.672
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -5.215
tors. eta vs tors. theta energy: -5.472
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: 6, replica: 4
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -72.091703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.091703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.091703 (E_RNA)
where:
Base-Base interactions energy: -23.493
where: short stacking energy: -20.113
Base-Backbone interact. energy: -0.003
local terms energy: -48.595453
where:
bonds (distance) C4'-P energy: -10.880
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -10.784
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -6.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -63.296237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.296237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.296237 (E_RNA)
where:
Base-Base interactions energy: -19.322
where: short stacking energy: -18.980
Base-Backbone interact. energy: -0.100
local terms energy: -43.874250
where:
bonds (distance) C4'-P energy: -9.858
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -10.742
flat angles P-C4'-P energy: -5.839
tors. eta vs tors. theta energy: -4.339
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: 8, replica: 9
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -62.029238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.029238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.029238 (E_RNA)
where:
Base-Base interactions energy: -18.421
where: short stacking energy: -18.421
Base-Backbone interact. energy: -0.700
local terms energy: -42.908508
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -9.297
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -5.474
tors. eta vs tors. theta energy: -5.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -62.825934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.825934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.825934 (E_RNA)
where:
Base-Base interactions energy: -29.354
where: short stacking energy: -20.867
Base-Backbone interact. energy: -0.027
local terms energy: -33.444466
where:
bonds (distance) C4'-P energy: -4.356
bonds (distance) P-C4' energy: -9.131
flat angles C4'-P-C4' energy: -9.955
flat angles P-C4'-P energy: -6.043
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: 10
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -53.822996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.822996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.822996 (E_RNA)
where:
Base-Base interactions energy: -25.428
where: short stacking energy: -10.941
Base-Backbone interact. energy: -0.690
local terms energy: -27.704806
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -6.233
flat angles P-C4'-P energy: -2.094
tors. eta vs tors. theta energy: 1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -147.069565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.069565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.069565 (E_RNA)
where:
Base-Base interactions energy: -95.792
where: short stacking energy: -37.912
Base-Backbone interact. energy: 0.366
local terms energy: -51.644125
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -10.023
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: 2
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -132.162555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.162555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.162555 (E_RNA)
where:
Base-Base interactions energy: -89.635
where: short stacking energy: -27.219
Base-Backbone interact. energy: 0.336
local terms energy: -42.863694
where:
bonds (distance) C4'-P energy: -8.858
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: -4.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -120.718180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.718180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.718180 (E_RNA)
where:
Base-Base interactions energy: -72.660
where: short stacking energy: -42.035
Base-Backbone interact. energy: -0.001
local terms energy: -48.056962
where:
bonds (distance) C4'-P energy: -9.461
bonds (distance) P-C4' energy: -11.023
flat angles C4'-P-C4' energy: -10.328
flat angles P-C4'-P energy: -5.092
tors. eta vs tors. theta energy: -12.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -111.141112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.141112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.141112 (E_RNA)
where:
Base-Base interactions energy: -67.241
where: short stacking energy: -26.292
Base-Backbone interact. energy: -1.604
local terms energy: -42.295724
where:
bonds (distance) C4'-P energy: -9.234
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -8.130
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -4.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -100.788668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.788668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.788668 (E_RNA)
where:
Base-Base interactions energy: -47.613
where: short stacking energy: -33.160
Base-Backbone interact. energy: -0.113
local terms energy: -53.062012
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -9.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -69.616756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.616756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.616756 (E_RNA)
where:
Base-Base interactions energy: -29.753
where: short stacking energy: -27.258
Base-Backbone interact. energy: 1.354
local terms energy: -41.217906
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -8.372
flat angles C4'-P-C4' energy: -8.908
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -5.000
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: 1
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -62.098514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.098514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.098514 (E_RNA)
where:
Base-Base interactions energy: -19.729
where: short stacking energy: -19.729
Base-Backbone interact. energy: -0.141
local terms energy: -42.228411
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -7.453
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -0.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -58.875462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.875462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.875462 (E_RNA)
where:
Base-Base interactions energy: -21.123
where: short stacking energy: -18.508
Base-Backbone interact. energy: -0.061
local terms energy: -37.691433
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -4.592
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: -4.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -62.731913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.731913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.731913 (E_RNA)
where:
Base-Base interactions energy: -25.869
where: short stacking energy: -15.376
Base-Backbone interact. energy: 0.093
local terms energy: -36.956414
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -7.808
flat angles C4'-P-C4' energy: -11.076
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -0.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -51.302066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.302066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.302066 (E_RNA)
where:
Base-Base interactions energy: -12.586
where: short stacking energy: -11.828
Base-Backbone interact. energy: -0.374
local terms energy: -38.342550
where:
bonds (distance) C4'-P energy: -9.423
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -9.804
flat angles P-C4'-P energy: -8.350
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: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -131.606410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.606410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.606410 (E_RNA)
where:
Base-Base interactions energy: -88.117
where: short stacking energy: -32.819
Base-Backbone interact. energy: -0.105
local terms energy: -43.384803
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -8.670
flat angles C4'-P-C4' energy: -11.100
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -5.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -137.301716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.301716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.301716 (E_RNA)
where:
Base-Base interactions energy: -98.119
where: short stacking energy: -36.039
Base-Backbone interact. energy: 1.184
local terms energy: -40.366357
where:
bonds (distance) C4'-P energy: -8.396
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -6.015
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -5.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -114.143581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.143581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.143581 (E_RNA)
where:
Base-Base interactions energy: -64.195
where: short stacking energy: -36.470
Base-Backbone interact. energy: -0.250
local terms energy: -49.698313
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -5.829
tors. eta vs tors. theta energy: -10.127
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: 7
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -115.678696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.678696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.678696 (E_RNA)
where:
Base-Base interactions energy: -75.031
where: short stacking energy: -26.410
Base-Backbone interact. energy: -0.792
local terms energy: -39.855793
where:
bonds (distance) C4'-P energy: -11.439
bonds (distance) P-C4' energy: -10.112
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -3.972
tors. eta vs tors. theta energy: -2.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -85.214929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.214929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.214929 (E_RNA)
where:
Base-Base interactions energy: -47.961
where: short stacking energy: -23.697
Base-Backbone interact. energy: -0.121
local terms energy: -37.132180
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -6.548
flat angles C4'-P-C4' energy: -10.342
flat angles P-C4'-P energy: -2.701
tors. eta vs tors. theta energy: -5.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -66.815307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.815307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.815307 (E_RNA)
where:
Base-Base interactions energy: -21.534
where: short stacking energy: -16.254
Base-Backbone interact. energy: 0.044
local terms energy: -45.325080
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -10.392
flat angles C4'-P-C4' energy: -10.437
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -6.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -57.577907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.577907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.577907 (E_RNA)
where:
Base-Base interactions energy: -16.574
where: short stacking energy: -16.574
Base-Backbone interact. energy: -0.121
local terms energy: -40.882870
where:
bonds (distance) C4'-P energy: -7.694
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -9.872
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: 5
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -60.810665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.810665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.810665 (E_RNA)
where:
Base-Base interactions energy: -23.535
where: short stacking energy: -15.162
Base-Backbone interact. energy: -0.197
local terms energy: -37.078389
where:
bonds (distance) C4'-P energy: -10.462
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -7.855
flat angles P-C4'-P energy: -4.623
tors. eta vs tors. theta energy: -3.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -58.124799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.124799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.124799 (E_RNA)
where:
Base-Base interactions energy: -21.411
where: short stacking energy: -18.950
Base-Backbone interact. energy: 0.911
local terms energy: -37.624602
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -10.687
flat angles C4'-P-C4' energy: -6.158
flat angles P-C4'-P energy: -5.054
tors. eta vs tors. theta energy: -5.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -55.169712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.169712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.169712 (E_RNA)
where:
Base-Base interactions energy: -22.757
where: short stacking energy: -18.784
Base-Backbone interact. energy: 0.159
local terms energy: -32.572322
where:
bonds (distance) C4'-P energy: -7.400
bonds (distance) P-C4' energy: -7.723
flat angles C4'-P-C4' energy: -8.173
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -2.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -120.256971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.256971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.256971 (E_RNA)
where:
Base-Base interactions energy: -77.011
where: short stacking energy: -30.806
Base-Backbone interact. energy: -0.086
local terms energy: -43.159316
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -11.336
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -6.130
tors. eta vs tors. theta energy: -3.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -144.394736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.394736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.394736 (E_RNA)
where:
Base-Base interactions energy: -98.440
where: short stacking energy: -35.262
Base-Backbone interact. energy: -0.304
local terms energy: -45.650879
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -8.805
flat angles C4'-P-C4' energy: -10.422
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -6.465
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: 6
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -112.662585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.662585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.662585 (E_RNA)
where:
Base-Base interactions energy: -63.998
where: short stacking energy: -32.342
Base-Backbone interact. energy: -0.126
local terms energy: -48.538976
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -10.453
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -8.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -81.704068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.704068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.704068 (E_RNA)
where:
Base-Base interactions energy: -38.593
where: short stacking energy: -31.099
Base-Backbone interact. energy: -0.007
local terms energy: -43.103977
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -10.784
flat angles C4'-P-C4' energy: -8.646
flat angles P-C4'-P energy: -5.214
tors. eta vs tors. theta energy: -6.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -108.738040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.738040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.738040 (E_RNA)
where:
Base-Base interactions energy: -65.732
where: short stacking energy: -18.768
Base-Backbone interact. energy: -0.691
local terms energy: -42.314876
where:
bonds (distance) C4'-P energy: -9.879
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -10.166
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -4.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -81.568711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.568711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.568711 (E_RNA)
where:
Base-Base interactions energy: -33.643
where: short stacking energy: -33.643
Base-Backbone interact. energy: -0.001
local terms energy: -47.924482
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -6.865
flat angles C4'-P-C4' energy: -9.693
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -11.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -61.794369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.794369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.794369 (E_RNA)
where:
Base-Base interactions energy: -21.055
where: short stacking energy: -18.788
Base-Backbone interact. energy: -0.159
local terms energy: -40.580340
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -10.785
flat angles C4'-P-C4' energy: -8.103
flat angles P-C4'-P energy: -5.759
tors. eta vs tors. theta energy: -5.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -67.315616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.315616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.315616 (E_RNA)
where:
Base-Base interactions energy: -22.766
where: short stacking energy: -18.462
Base-Backbone interact. energy: -0.088
local terms energy: -44.461727
where:
bonds (distance) C4'-P energy: -9.841
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -4.623
tors. eta vs tors. theta energy: -4.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -58.444632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.444632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.444632 (E_RNA)
where:
Base-Base interactions energy: -18.322
where: short stacking energy: -13.781
Base-Backbone interact. energy: -0.142
local terms energy: -39.980298
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -9.438
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -55.865567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.865567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.865567 (E_RNA)
where:
Base-Base interactions energy: -23.400
where: short stacking energy: -23.196
Base-Backbone interact. energy: 1.844
local terms energy: -34.310111
where:
bonds (distance) C4'-P energy: -8.245
bonds (distance) P-C4' energy: -8.648
flat angles C4'-P-C4' energy: -7.913
flat angles P-C4'-P energy: -4.974
tors. eta vs tors. theta energy: -4.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -117.302005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.302005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.302005 (E_RNA)
where:
Base-Base interactions energy: -66.461
where: short stacking energy: -21.053
Base-Backbone interact. energy: -0.276
local terms energy: -50.565373
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -7.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -130.694144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.694144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.694144 (E_RNA)
where:
Base-Base interactions energy: -80.160
where: short stacking energy: -35.421
Base-Backbone interact. energy: -0.307
local terms energy: -50.227301
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -9.794
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -7.953
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: 6
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -98.901910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.901910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.901910 (E_RNA)
where:
Base-Base interactions energy: -54.936
where: short stacking energy: -30.880
Base-Backbone interact. energy: -0.409
local terms energy: -43.557075
where:
bonds (distance) C4'-P energy: -10.764
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -11.231
flat angles P-C4'-P energy: -5.534
tors. eta vs tors. theta energy: -3.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -73.804976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.804976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.804976 (E_RNA)
where:
Base-Base interactions energy: -26.250
where: short stacking energy: -18.194
Base-Backbone interact. energy: -0.008
local terms energy: -47.547233
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -10.727
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -3.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -109.321772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.321772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.321772 (E_RNA)
where:
Base-Base interactions energy: -68.212
where: short stacking energy: -30.083
Base-Backbone interact. energy: -0.413
local terms energy: -40.696814
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -10.341
flat angles C4'-P-C4' energy: -8.954
flat angles P-C4'-P energy: -5.448
tors. eta vs tors. theta energy: -4.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -67.865668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.865668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.865668 (E_RNA)
where:
Base-Base interactions energy: -27.732
where: short stacking energy: -20.780
Base-Backbone interact. energy: -0.014
local terms energy: -40.120035
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -10.422
flat angles C4'-P-C4' energy: -8.686
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -1.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -89.342231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.342231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.342231 (E_RNA)
where:
Base-Base interactions energy: -47.196
where: short stacking energy: -27.030
Base-Backbone interact. energy: -0.235
local terms energy: -41.910481
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -10.265
flat angles C4'-P-C4' energy: -9.850
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: -6.206
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: 8, replica: 4
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -59.576161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.576161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.576161 (E_RNA)
where:
Base-Base interactions energy: -19.373
where: short stacking energy: -18.517
Base-Backbone interact. energy: -0.083
local terms energy: -40.120075
where:
bonds (distance) C4'-P energy: -8.269
bonds (distance) P-C4' energy: -10.137
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: -3.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -64.939297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.939297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.939297 (E_RNA)
where:
Base-Base interactions energy: -29.728
where: short stacking energy: -19.043
Base-Backbone interact. energy: 0.129
local terms energy: -35.340761
where:
bonds (distance) C4'-P energy: -9.901
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -10.766
flat angles P-C4'-P energy: -3.485
tors. eta vs tors. theta energy: -0.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -52.816765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.816765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.816765 (E_RNA)
where:
Base-Base interactions energy: -13.764
where: short stacking energy: -13.381
Base-Backbone interact. energy: -0.035
local terms energy: -39.018515
where:
bonds (distance) C4'-P energy: -9.284
bonds (distance) P-C4' energy: -11.304
flat angles C4'-P-C4' energy: -10.815
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: 1.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -114.248255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.248255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.248255 (E_RNA)
where:
Base-Base interactions energy: -70.795
where: short stacking energy: -26.560
Base-Backbone interact. energy: -0.180
local terms energy: -43.272949
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -4.184
tors. eta vs tors. theta energy: -5.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -126.689507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.689507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.689507 (E_RNA)
where:
Base-Base interactions energy: -75.948
where: short stacking energy: -38.273
Base-Backbone interact. energy: -0.347
local terms energy: -50.394533
where:
bonds (distance) C4'-P energy: -9.609
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -9.738
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -10.829
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: 6
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -103.630331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.630331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.630331 (E_RNA)
where:
Base-Base interactions energy: -55.334
where: short stacking energy: -30.884
Base-Backbone interact. energy: -0.001
local terms energy: -48.296098
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -12.741
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -5.181
tors. eta vs tors. theta energy: -9.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -104.243684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.243684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.243684 (E_RNA)
where:
Base-Base interactions energy: -57.321
where: short stacking energy: -27.592
Base-Backbone interact. energy: -0.009
local terms energy: -46.914084
where:
bonds (distance) C4'-P energy: -7.976
bonds (distance) P-C4' energy: -9.917
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -9.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -66.495064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.495064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.495064 (E_RNA)
where:
Base-Base interactions energy: -28.995
where: short stacking energy: -12.312
Base-Backbone interact. energy: -0.418
local terms energy: -37.082237
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -6.038
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: 1.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -81.194325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.194325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.194325 (E_RNA)
where:
Base-Base interactions energy: -44.686
where: short stacking energy: -22.906
Base-Backbone interact. energy: -0.172
local terms energy: -36.336406
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -9.281
flat angles C4'-P-C4' energy: -7.389
flat angles P-C4'-P energy: -5.504
tors. eta vs tors. theta energy: -3.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -68.022059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.022059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.022059 (E_RNA)
where:
Base-Base interactions energy: -27.470
where: short stacking energy: -26.297
Base-Backbone interact. energy: -0.038
local terms energy: -40.514666
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -9.372
flat angles C4'-P-C4' energy: -9.614
flat angles P-C4'-P energy: -3.534
tors. eta vs tors. theta energy: -6.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -61.601336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.601336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.601336 (E_RNA)
where:
Base-Base interactions energy: -30.835
where: short stacking energy: -20.868
Base-Backbone interact. energy: -0.486
local terms energy: -30.280764
where:
bonds (distance) C4'-P energy: -4.997
bonds (distance) P-C4' energy: -8.638
flat angles C4'-P-C4' energy: -9.094
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -1.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -60.074680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.074680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.074680 (E_RNA)
where:
Base-Base interactions energy: -16.502
where: short stacking energy: -12.172
Base-Backbone interact. energy: -0.291
local terms energy: -43.280950
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -5.505
tors. eta vs tors. theta energy: -2.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -60.173960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.173960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.173960 (E_RNA)
where:
Base-Base interactions energy: -22.185
where: short stacking energy: -16.534
Base-Backbone interact. energy: 0.399
local terms energy: -38.388425
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: 2.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -115.297237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.297237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.297237 (E_RNA)
where:
Base-Base interactions energy: -67.862
where: short stacking energy: -34.415
Base-Backbone interact. energy: 0.987
local terms energy: -48.422241
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -10.629
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -7.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -108.971534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.971534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.971534 (E_RNA)
where:
Base-Base interactions energy: -61.165
where: short stacking energy: -29.529
Base-Backbone interact. energy: -0.126
local terms energy: -47.680909
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -11.557
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -5.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -104.764909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.764909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.764909 (E_RNA)
where:
Base-Base interactions energy: -57.712
where: short stacking energy: -35.788
Base-Backbone interact. energy: -0.544
local terms energy: -46.509235
where:
bonds (distance) C4'-P energy: -9.394
bonds (distance) P-C4' energy: -10.024
flat angles C4'-P-C4' energy: -9.742
flat angles P-C4'-P energy: -4.635
tors. eta vs tors. theta energy: -12.715
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: 7
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -100.352243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.352243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.352243 (E_RNA)
where:
Base-Base interactions energy: -52.123
where: short stacking energy: -31.673
Base-Backbone interact. energy: -0.000
local terms energy: -48.228980
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -11.067
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -4.029
tors. eta vs tors. theta energy: -8.178
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: 8
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -64.735718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.735718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.735718 (E_RNA)
where:
Base-Base interactions energy: -20.498
where: short stacking energy: -15.320
Base-Backbone interact. energy: -1.473
local terms energy: -42.765194
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -10.038
flat angles C4'-P-C4' energy: -9.066
flat angles P-C4'-P energy: -7.180
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: 6, replica: 10
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -68.615558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.615558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.615558 (E_RNA)
where:
Base-Base interactions energy: -27.121
where: short stacking energy: -21.233
Base-Backbone interact. energy: -0.010
local terms energy: -41.483838
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -9.802
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -5.868
tors. eta vs tors. theta energy: -2.934
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: 9
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -59.121551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.121551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.121551 (E_RNA)
where:
Base-Base interactions energy: -20.727
where: short stacking energy: -20.727
Base-Backbone interact. energy: -0.089
local terms energy: -38.305918
where:
bonds (distance) C4'-P energy: -9.920
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -9.785
flat angles P-C4'-P energy: -3.938
tors. eta vs tors. theta energy: -0.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -58.241078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.241078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.241078 (E_RNA)
where:
Base-Base interactions energy: -26.166
where: short stacking energy: -26.166
Base-Backbone interact. energy: -0.035
local terms energy: -32.039607
where:
bonds (distance) C4'-P energy: -7.280
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -11.229
flat angles P-C4'-P energy: 1.625
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: 9, replica: 5
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -53.988390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.988390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.988390 (E_RNA)
where:
Base-Base interactions energy: -22.019
where: short stacking energy: -5.004
Base-Backbone interact. energy: 0.270
local terms energy: -32.239744
where:
bonds (distance) C4'-P energy: -9.205
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -7.755
flat angles P-C4'-P energy: -4.774
tors. eta vs tors. theta energy: 2.085
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: 4
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -55.890033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.890033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.890033 (E_RNA)
where:
Base-Base interactions energy: -15.865
where: short stacking energy: -15.865
Base-Backbone interact. energy: -0.019
local terms energy: -40.005506
where:
bonds (distance) C4'-P energy: -5.978
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -8.942
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -6.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -118.789907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.789907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.789907 (E_RNA)
where:
Base-Base interactions energy: -83.501
where: short stacking energy: -31.754
Base-Backbone interact. energy: 3.726
local terms energy: -39.015504
where:
bonds (distance) C4'-P energy: -10.132
bonds (distance) P-C4' energy: -8.435
flat angles C4'-P-C4' energy: -10.136
flat angles P-C4'-P energy: -5.969
tors. eta vs tors. theta energy: -4.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -123.960259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.960259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.960259 (E_RNA)
where:
Base-Base interactions energy: -79.199
where: short stacking energy: -34.431
Base-Backbone interact. energy: -0.652
local terms energy: -44.108566
where:
bonds (distance) C4'-P energy: -8.956
bonds (distance) P-C4' energy: -10.781
flat angles C4'-P-C4' energy: -9.820
flat angles P-C4'-P energy: -5.149
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: 3, replica: 2
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -111.870336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.870336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.870336 (E_RNA)
where:
Base-Base interactions energy: -63.447
where: short stacking energy: -23.960
Base-Backbone interact. energy: 0.717
local terms energy: -49.139871
where:
bonds (distance) C4'-P energy: -9.398
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -5.103
tors. eta vs tors. theta energy: -10.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -86.019776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.019776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.019776 (E_RNA)
where:
Base-Base interactions energy: -51.248
where: short stacking energy: -21.571
Base-Backbone interact. energy: -0.329
local terms energy: -34.442663
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -7.973
flat angles C4'-P-C4' energy: -11.279
flat angles P-C4'-P energy: -0.637
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: 5, replica: 7
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -80.254410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.254410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.254410 (E_RNA)
where:
Base-Base interactions energy: -38.480
where: short stacking energy: -25.259
Base-Backbone interact. energy: -0.037
local terms energy: -41.738036
where:
bonds (distance) C4'-P energy: -9.001
bonds (distance) P-C4' energy: -10.103
flat angles C4'-P-C4' energy: -10.110
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -4.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -67.197271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.197271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.197271 (E_RNA)
where:
Base-Base interactions energy: -26.408
where: short stacking energy: -20.871
Base-Backbone interact. energy: -0.003
local terms energy: -40.786619
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -10.346
flat angles C4'-P-C4' energy: -9.634
flat angles P-C4'-P energy: -6.208
tors. eta vs tors. theta energy: -5.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -63.721878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.721878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.721878 (E_RNA)
where:
Base-Base interactions energy: -26.176
where: short stacking energy: -16.504
Base-Backbone interact. energy: -0.022
local terms energy: -37.523936
where:
bonds (distance) C4'-P energy: -8.758
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: 0.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -65.777074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.777074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.777074 (E_RNA)
where:
Base-Base interactions energy: -41.541
where: short stacking energy: -17.229
Base-Backbone interact. energy: -0.082
local terms energy: -24.154586
where:
bonds (distance) C4'-P energy: -5.391
bonds (distance) P-C4' energy: -7.739
flat angles C4'-P-C4' energy: -9.609
flat angles P-C4'-P energy: -3.116
tors. eta vs tors. theta energy: 1.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -56.674383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.674383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.674383 (E_RNA)
where:
Base-Base interactions energy: -18.132
where: short stacking energy: -18.132
Base-Backbone interact. energy: -0.021
local terms energy: -38.522101
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -8.662
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -4.721
tors. eta vs tors. theta energy: -4.155
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: 4
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -52.635058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.635058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.635058 (E_RNA)
where:
Base-Base interactions energy: -11.919
where: short stacking energy: -11.919
Base-Backbone interact. energy: -0.314
local terms energy: -40.401737
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -11.308
flat angles P-C4'-P energy: -4.815
tors. eta vs tors. theta energy: 0.044
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: 6
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -129.275899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.275899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.275899 (E_RNA)
where:
Base-Base interactions energy: -78.302
where: short stacking energy: -37.103
Base-Backbone interact. energy: -0.108
local terms energy: -50.865392
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -10.727
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -9.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -130.121979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.121979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.121979 (E_RNA)
where:
Base-Base interactions energy: -82.146
where: short stacking energy: -34.306
Base-Backbone interact. energy: -0.455
local terms energy: -47.521011
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -10.443
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -5.815
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: 2
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -100.477557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.477557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.477557 (E_RNA)
where:
Base-Base interactions energy: -57.542
where: short stacking energy: -29.399
Base-Backbone interact. energy: -0.787
local terms energy: -42.148030
where:
bonds (distance) C4'-P energy: -9.112
bonds (distance) P-C4' energy: -9.644
flat angles C4'-P-C4' energy: -9.954
flat angles P-C4'-P energy: -5.968
tors. eta vs tors. theta energy: -7.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -81.066953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.066953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.066953 (E_RNA)
where:
Base-Base interactions energy: -30.909
where: short stacking energy: -30.800
Base-Backbone interact. energy: -0.097
local terms energy: -50.060538
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -9.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -73.573918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.573918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.573918 (E_RNA)
where:
Base-Base interactions energy: -30.045
where: short stacking energy: -29.231
Base-Backbone interact. energy: -0.017
local terms energy: -43.511399
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -9.312
flat angles C4'-P-C4' energy: -8.904
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -7.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -82.368615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.368615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.368615 (E_RNA)
where:
Base-Base interactions energy: -45.982
where: short stacking energy: -23.410
Base-Backbone interact. energy: -0.011
local terms energy: -36.375797
where:
bonds (distance) C4'-P energy: -8.248
bonds (distance) P-C4' energy: -7.578
flat angles C4'-P-C4' energy: -4.779
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -7.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -63.256080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.256080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.256080 (E_RNA)
where:
Base-Base interactions energy: -21.537
where: short stacking energy: -20.646
Base-Backbone interact. energy: -0.145
local terms energy: -41.574565
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -4.174
flat angles P-C4'-P energy: -7.119
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: 8, replica: 10
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -55.365435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.365435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.365435 (E_RNA)
where:
Base-Base interactions energy: -14.327
where: short stacking energy: -14.327
Base-Backbone interact. energy: -0.035
local terms energy: -41.003140
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -10.253
flat angles C4'-P-C4' energy: -10.506
flat angles P-C4'-P energy: -8.255
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: 4
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -57.173677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.173677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.173677 (E_RNA)
where:
Base-Base interactions energy: -17.068
where: short stacking energy: -9.638
Base-Backbone interact. energy: -0.378
local terms energy: -39.727543
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -9.665
flat angles P-C4'-P energy: -4.599
tors. eta vs tors. theta energy: 0.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -51.321184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.321184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.321184 (E_RNA)
where:
Base-Base interactions energy: -14.547
where: short stacking energy: -13.027
Base-Backbone interact. energy: -0.022
local terms energy: -36.751781
where:
bonds (distance) C4'-P energy: -9.125
bonds (distance) P-C4' energy: -9.020
flat angles C4'-P-C4' energy: -9.546
flat angles P-C4'-P energy: -6.264
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: 1, replica: 6
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -135.153375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.153375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.153375 (E_RNA)
where:
Base-Base interactions energy: -86.668
where: short stacking energy: -37.242
Base-Backbone interact. energy: -0.545
local terms energy: -47.940341
where:
bonds (distance) C4'-P energy: -7.168
bonds (distance) P-C4' energy: -11.285
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -5.447
tors. eta vs tors. theta energy: -11.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -134.219052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.219052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.219052 (E_RNA)
where:
Base-Base interactions energy: -88.079
where: short stacking energy: -36.597
Base-Backbone interact. energy: -0.249
local terms energy: -45.890246
where:
bonds (distance) C4'-P energy: -8.322
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -10.651
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -6.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -84.862357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.862357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.862357 (E_RNA)
where:
Base-Base interactions energy: -39.288
where: short stacking energy: -17.604
Base-Backbone interact. energy: -0.159
local terms energy: -45.415821
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -12.078
flat angles P-C4'-P energy: -4.357
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: 4, replica: 7
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -81.622005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.622005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.622005 (E_RNA)
where:
Base-Base interactions energy: -38.032
where: short stacking energy: -23.979
Base-Backbone interact. energy: -0.102
local terms energy: -43.488428
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -11.013
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -5.479
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: 5, replica: 8
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -76.846519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.846519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.846519 (E_RNA)
where:
Base-Base interactions energy: -36.613
where: short stacking energy: -31.461
Base-Backbone interact. energy: -0.644
local terms energy: -39.589349
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -11.398
flat angles C4'-P-C4' energy: -8.785
flat angles P-C4'-P energy: -2.179
tors. eta vs tors. theta energy: -5.779
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: 5
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -65.757682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.757682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.757682 (E_RNA)
where:
Base-Base interactions energy: -21.157
where: short stacking energy: -21.157
Base-Backbone interact. energy: -0.170
local terms energy: -44.431141
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -4.259
tors. eta vs tors. theta energy: -6.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -83.987269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.987269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.987269 (E_RNA)
where:
Base-Base interactions energy: -40.315
where: short stacking energy: -11.668
Base-Backbone interact. energy: -0.412
local terms energy: -43.259994
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: -1.738
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: 8, replica: 4
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -61.482880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.482880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.482880 (E_RNA)
where:
Base-Base interactions energy: -22.922
where: short stacking energy: -17.052
Base-Backbone interact. energy: -0.141
local terms energy: -38.419903
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -8.773
flat angles P-C4'-P energy: -4.494
tors. eta vs tors. theta energy: -2.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -51.242680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.242680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.242680 (E_RNA)
where:
Base-Base interactions energy: -12.080
where: short stacking energy: -12.080
Base-Backbone interact. energy: -0.285
local terms energy: -38.877536
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -11.023
flat angles C4'-P-C4' energy: -9.749
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: 1.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -52.512128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.512128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.512128 (E_RNA)
where:
Base-Base interactions energy: -18.136
where: short stacking energy: -11.330
Base-Backbone interact. energy: -0.946
local terms energy: -33.429544
where:
bonds (distance) C4'-P energy: -8.653
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -2.532
tors. eta vs tors. theta energy: 0.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -143.548278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.548278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.548278 (E_RNA)
where:
Base-Base interactions energy: -96.096
where: short stacking energy: -35.028
Base-Backbone interact. energy: -0.210
local terms energy: -47.241649
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -7.938
flat angles P-C4'-P energy: -6.013
tors. eta vs tors. theta energy: -9.362
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: 294
Temperature: 0.950000
Total energy: -132.183462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.183462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.183462 (E_RNA)
where:
Base-Base interactions energy: -84.039
where: short stacking energy: -35.087
Base-Backbone interact. energy: 0.239
local terms energy: -48.383017
where:
bonds (distance) C4'-P energy: -9.399
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -6.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -108.996520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.996520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.996520 (E_RNA)
where:
Base-Base interactions energy: -67.845
where: short stacking energy: -26.731
Base-Backbone interact. energy: 0.331
local terms energy: -41.482006
where:
bonds (distance) C4'-P energy: -8.972
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -6.855
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -5.374
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: 4, replica: 2
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -77.258918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.258918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.258918 (E_RNA)
where:
Base-Base interactions energy: -38.621
where: short stacking energy: -17.358
Base-Backbone interact. energy: 0.719
local terms energy: -39.356947
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -9.671
flat angles C4'-P-C4' energy: -9.856
flat angles P-C4'-P energy: -7.237
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: 5, replica: 5
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -78.955852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.955852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.955852 (E_RNA)
where:
Base-Base interactions energy: -32.859
where: short stacking energy: -32.859
Base-Backbone interact. energy: -0.001
local terms energy: -46.095438
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -5.224
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -6.600
tors. eta vs tors. theta energy: -9.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -65.815672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.815672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.815672 (E_RNA)
where:
Base-Base interactions energy: -25.779
where: short stacking energy: -25.424
Base-Backbone interact. energy: -0.039
local terms energy: -39.997573
where:
bonds (distance) C4'-P energy: -10.576
bonds (distance) P-C4' energy: -9.374
flat angles C4'-P-C4' energy: -7.870
flat angles P-C4'-P energy: -5.398
tors. eta vs tors. theta energy: -6.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -65.908125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.908125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.908125 (E_RNA)
where:
Base-Base interactions energy: -20.269
where: short stacking energy: -16.223
Base-Backbone interact. energy: -1.598
local terms energy: -44.041516
where:
bonds (distance) C4'-P energy: -10.057
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -6.031
tors. eta vs tors. theta energy: -5.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -71.712760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.712760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.712760 (E_RNA)
where:
Base-Base interactions energy: -37.751
where: short stacking energy: -23.457
Base-Backbone interact. energy: -0.145
local terms energy: -33.816604
where:
bonds (distance) C4'-P energy: -4.874
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -10.962
flat angles P-C4'-P energy: -3.073
tors. eta vs tors. theta energy: -3.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -65.272052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.272052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.272052 (E_RNA)
where:
Base-Base interactions energy: -20.737
where: short stacking energy: -20.737
Base-Backbone interact. energy: -0.093
local terms energy: -44.442129
where:
bonds (distance) C4'-P energy: -8.212
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -11.184
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -4.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -58.044052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.044052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.044052 (E_RNA)
where:
Base-Base interactions energy: -21.682
where: short stacking energy: -20.891
Base-Backbone interact. energy: -0.078
local terms energy: -36.283611
where:
bonds (distance) C4'-P energy: -8.131
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -4.720
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -4.367
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: 6
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -149.827102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.827102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.827102 (E_RNA)
where:
Base-Base interactions energy: -97.749
where: short stacking energy: -31.086
Base-Backbone interact. energy: -0.576
local terms energy: -51.501838
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -7.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -125.731723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.731723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.731723 (E_RNA)
where:
Base-Base interactions energy: -79.235
where: short stacking energy: -32.846
Base-Backbone interact. energy: -0.194
local terms energy: -46.302963
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -9.982
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -6.393
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: 7
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -103.230494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.230494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.230494 (E_RNA)
where:
Base-Base interactions energy: -57.087
where: short stacking energy: -31.242
Base-Backbone interact. energy: -0.046
local terms energy: -46.097073
where:
bonds (distance) C4'-P energy: -7.441
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: -7.300
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: 4, replica: 5
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -82.535159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.535159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.535159 (E_RNA)
where:
Base-Base interactions energy: -30.431
where: short stacking energy: -30.431
Base-Backbone interact. energy: -0.001
local terms energy: -52.103568
where:
bonds (distance) C4'-P energy: -8.836
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -10.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -80.683762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.683762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.683762 (E_RNA)
where:
Base-Base interactions energy: -47.371
where: short stacking energy: -20.992
Base-Backbone interact. energy: -0.140
local terms energy: -33.172530
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -3.622
flat angles P-C4'-P energy: -9.057
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: 6, replica: 4
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -68.031580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.031580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.031580 (E_RNA)
where:
Base-Base interactions energy: -29.087
where: short stacking energy: -20.220
Base-Backbone interact. energy: -0.791
local terms energy: -38.153439
where:
bonds (distance) C4'-P energy: -9.150
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -6.162
flat angles P-C4'-P energy: -5.139
tors. eta vs tors. theta energy: -4.385
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: 295
Temperature: 1.200000
Total energy: -63.363805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.363805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.363805 (E_RNA)
where:
Base-Base interactions energy: -26.228
where: short stacking energy: -20.191
Base-Backbone interact. energy: -0.007
local terms energy: -37.128567
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -8.863
flat angles C4'-P-C4' energy: -7.878
flat angles P-C4'-P energy: -5.666
tors. eta vs tors. theta energy: -2.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -66.529360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.529360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.529360 (E_RNA)
where:
Base-Base interactions energy: -25.782
where: short stacking energy: -25.782
Base-Backbone interact. energy: -0.123
local terms energy: -40.624523
where:
bonds (distance) C4'-P energy: -5.844
bonds (distance) P-C4' energy: -12.094
flat angles C4'-P-C4' energy: -8.123
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -7.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -59.415871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.415871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.415871 (E_RNA)
where:
Base-Base interactions energy: -16.824
where: short stacking energy: -13.106
Base-Backbone interact. energy: -0.010
local terms energy: -42.581402
where:
bonds (distance) C4'-P energy: -9.110
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -10.408
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -3.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -51.589738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.589738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.589738 (E_RNA)
where:
Base-Base interactions energy: -16.971
where: short stacking energy: -15.921
Base-Backbone interact. energy: -0.085
local terms energy: -34.534139
where:
bonds (distance) C4'-P energy: -9.821
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -9.850
flat angles P-C4'-P energy: -1.053
tors. eta vs tors. theta energy: -1.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -146.178684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.178684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.178684 (E_RNA)
where:
Base-Base interactions energy: -95.402
where: short stacking energy: -36.710
Base-Backbone interact. energy: -0.167
local terms energy: -50.609687
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -7.327
tors. eta vs tors. theta energy: -8.135
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: 296
Temperature: 0.950000
Total energy: -105.722021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.722021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.722021 (E_RNA)
where:
Base-Base interactions energy: -63.057
where: short stacking energy: -30.694
Base-Backbone interact. energy: -0.080
local terms energy: -42.585135
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -10.844
flat angles C4'-P-C4' energy: -7.897
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -5.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -95.109481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.109481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.109481 (E_RNA)
where:
Base-Base interactions energy: -54.330
where: short stacking energy: -24.339
Base-Backbone interact. energy: -0.101
local terms energy: -40.678704
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -4.948
tors. eta vs tors. theta energy: -1.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -70.528821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.528821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.528821 (E_RNA)
where:
Base-Base interactions energy: -28.987
where: short stacking energy: -26.388
Base-Backbone interact. energy: -0.090
local terms energy: -41.451692
where:
bonds (distance) C4'-P energy: -7.363
bonds (distance) P-C4' energy: -11.331
flat angles C4'-P-C4' energy: -10.834
flat angles P-C4'-P energy: -7.038
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: 5, replica: 2
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -71.336737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.336737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.336737 (E_RNA)
where:
Base-Base interactions energy: -30.344
where: short stacking energy: -30.344
Base-Backbone interact. energy: -0.011
local terms energy: -40.981634
where:
bonds (distance) C4'-P energy: -6.877
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -9.503
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -5.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -68.694545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.694545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.694545 (E_RNA)
where:
Base-Base interactions energy: -30.081
where: short stacking energy: -29.255
Base-Backbone interact. energy: -0.059
local terms energy: -38.555064
where:
bonds (distance) C4'-P energy: -7.246
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -8.905
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -5.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -63.639645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.639645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.639645 (E_RNA)
where:
Base-Base interactions energy: -25.864
where: short stacking energy: -25.766
Base-Backbone interact. energy: -0.301
local terms energy: -37.474816
where:
bonds (distance) C4'-P energy: -9.449
bonds (distance) P-C4' energy: -11.450
flat angles C4'-P-C4' energy: -6.873
flat angles P-C4'-P energy: -4.701
tors. eta vs tors. theta energy: -5.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -78.884407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.884407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.884407 (E_RNA)
where:
Base-Base interactions energy: -36.047
where: short stacking energy: -24.744
Base-Backbone interact. energy: -0.001
local terms energy: -42.836236
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -10.405
flat angles P-C4'-P energy: -5.895
tors. eta vs tors. theta energy: -2.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -55.414237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.414237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.414237 (E_RNA)
where:
Base-Base interactions energy: -15.099
where: short stacking energy: -11.461
Base-Backbone interact. energy: -0.097
local terms energy: -40.217449
where:
bonds (distance) C4'-P energy: -8.000
bonds (distance) P-C4' energy: -9.644
flat angles C4'-P-C4' energy: -10.989
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -4.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -70.915432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.915432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.915432 (E_RNA)
where:
Base-Base interactions energy: -34.152
where: short stacking energy: -17.407
Base-Backbone interact. energy: -0.102
local terms energy: -36.661421
where:
bonds (distance) C4'-P energy: -9.610
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -10.300
flat angles P-C4'-P energy: -2.048
tors. eta vs tors. theta energy: -3.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -145.134690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.134690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.134690 (E_RNA)
where:
Base-Base interactions energy: -99.006
where: short stacking energy: -39.566
Base-Backbone interact. energy: -0.476
local terms energy: -45.653110
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -9.268
flat angles C4'-P-C4' energy: -11.662
flat angles P-C4'-P energy: -4.579
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: 2, replica: 7
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -101.269418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.269418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.269418 (E_RNA)
where:
Base-Base interactions energy: -57.448
where: short stacking energy: -33.112
Base-Backbone interact. energy: -0.048
local terms energy: -43.773565
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -8.490
flat angles P-C4'-P energy: -2.722
tors. eta vs tors. theta energy: -11.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -99.071297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.071297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.071297 (E_RNA)
where:
Base-Base interactions energy: -51.596
where: short stacking energy: -29.582
Base-Backbone interact. energy: -0.780
local terms energy: -46.694865
where:
bonds (distance) C4'-P energy: -9.948
bonds (distance) P-C4' energy: -9.837
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: -6.819
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: 4, replica: 2
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -89.214247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.214247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.214247 (E_RNA)
where:
Base-Base interactions energy: -41.516
where: short stacking energy: -41.516
Base-Backbone interact. energy: -0.022
local terms energy: -47.676307
where:
bonds (distance) C4'-P energy: -9.461
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -8.652
flat angles P-C4'-P energy: -5.735
tors. eta vs tors. theta energy: -11.858
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: 5
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -90.314761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.314761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.314761 (E_RNA)
where:
Base-Base interactions energy: -48.431
where: short stacking energy: -31.925
Base-Backbone interact. energy: -0.048
local terms energy: -41.835125
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -10.563
flat angles C4'-P-C4' energy: -9.664
flat angles P-C4'-P energy: -5.613
tors. eta vs tors. theta energy: -6.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -63.864082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.864082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.864082 (E_RNA)
where:
Base-Base interactions energy: -26.682
where: short stacking energy: -22.893
Base-Backbone interact. energy: 0.083
local terms energy: -37.265128
where:
bonds (distance) C4'-P energy: -7.237
bonds (distance) P-C4' energy: -11.300
flat angles C4'-P-C4' energy: -9.358
flat angles P-C4'-P energy: -4.459
tors. eta vs tors. theta energy: -4.912
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: 4
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -61.822525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.822525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.822525 (E_RNA)
where:
Base-Base interactions energy: -18.382
where: short stacking energy: -18.382
Base-Backbone interact. energy: -0.129
local terms energy: -43.310801
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -8.455
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -1.919
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: 8, replica: 10
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -63.217580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.217580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.217580 (E_RNA)
where:
Base-Base interactions energy: -28.942
where: short stacking energy: -19.150
Base-Backbone interact. energy: -0.164
local terms energy: -34.111531
where:
bonds (distance) C4'-P energy: -10.501
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -8.128
flat angles P-C4'-P energy: -5.553
tors. eta vs tors. theta energy: 2.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -59.425890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.425890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.425890 (E_RNA)
where:
Base-Base interactions energy: -36.301
where: short stacking energy: -10.807
Base-Backbone interact. energy: 0.554
local terms energy: -23.678639
where:
bonds (distance) C4'-P energy: -6.832
bonds (distance) P-C4' energy: -8.876
flat angles C4'-P-C4' energy: -10.656
flat angles P-C4'-P energy: -2.801
tors. eta vs tors. theta energy: 5.486
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: 9
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -55.262799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.262799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.262799 (E_RNA)
where:
Base-Base interactions energy: -32.240
where: short stacking energy: -8.080
Base-Backbone interact. energy: -0.232
local terms energy: -22.790053
where:
bonds (distance) C4'-P energy: -7.991
bonds (distance) P-C4' energy: -8.380
flat angles C4'-P-C4' energy: -4.170
flat angles P-C4'-P energy: -3.560
tors. eta vs tors. theta energy: 1.311
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: 6
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -146.142500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.142500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.142500 (E_RNA)
where:
Base-Base interactions energy: -96.399
where: short stacking energy: -33.633
Base-Backbone interact. energy: -0.715
local terms energy: -49.028828
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -9.697
flat angles C4'-P-C4' energy: -11.170
flat angles P-C4'-P energy: -6.891
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: 2, replica: 7
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -86.198054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.198054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.198054 (E_RNA)
where:
Base-Base interactions energy: -42.588
where: short stacking energy: -26.250
Base-Backbone interact. energy: -0.030
local terms energy: -43.579807
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -10.022
flat angles P-C4'-P energy: -2.809
tors. eta vs tors. theta energy: -5.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -106.171019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.171019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.171019 (E_RNA)
where:
Base-Base interactions energy: -61.998
where: short stacking energy: -37.860
Base-Backbone interact. energy: -0.093
local terms energy: -44.079838
where:
bonds (distance) C4'-P energy: -7.163
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -6.369
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: 2
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -75.558535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.558535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.558535 (E_RNA)
where:
Base-Base interactions energy: -37.876
where: short stacking energy: -12.562
Base-Backbone interact. energy: -1.758
local terms energy: -35.924195
where:
bonds (distance) C4'-P energy: -7.475
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -3.402
tors. eta vs tors. theta energy: -2.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -72.503096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.503096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.503096 (E_RNA)
where:
Base-Base interactions energy: -31.165
where: short stacking energy: -24.274
Base-Backbone interact. energy: -0.045
local terms energy: -41.293527
where:
bonds (distance) C4'-P energy: -8.741
bonds (distance) P-C4' energy: -8.557
flat angles C4'-P-C4' energy: -9.449
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -6.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -69.951995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.951995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.951995 (E_RNA)
where:
Base-Base interactions energy: -25.425
where: short stacking energy: -24.584
Base-Backbone interact. energy: -0.036
local terms energy: -44.490681
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -10.770
flat angles C4'-P-C4' energy: -8.876
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -5.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -63.602023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.602023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.602023 (E_RNA)
where:
Base-Base interactions energy: -25.626
where: short stacking energy: -16.576
Base-Backbone interact. energy: -0.059
local terms energy: -37.916898
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -11.208
flat angles C4'-P-C4' energy: -9.297
flat angles P-C4'-P energy: -7.603
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: 8, replica: 10
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -65.299698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.299698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.299698 (E_RNA)
where:
Base-Base interactions energy: -32.724
where: short stacking energy: -12.168
Base-Backbone interact. energy: -0.055
local terms energy: -32.520636
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -10.577
flat angles C4'-P-C4' energy: -8.140
flat angles P-C4'-P energy: -2.975
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: 9, replica: 9
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -60.829386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.829386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.829386 (E_RNA)
where:
Base-Base interactions energy: -27.867
where: short stacking energy: -22.162
Base-Backbone interact. energy: -0.628
local terms energy: -32.334806
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -5.422
flat angles C4'-P-C4' energy: -9.371
flat angles P-C4'-P energy: -5.539
tors. eta vs tors. theta energy: -1.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -50.778095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.778095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.778095 (E_RNA)
where:
Base-Base interactions energy: -13.121
where: short stacking energy: -8.625
Base-Backbone interact. energy: -0.244
local terms energy: -37.412824
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -9.364
flat angles P-C4'-P energy: -6.166
tors. eta vs tors. theta energy: 0.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -149.485341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.485341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.485341 (E_RNA)
where:
Base-Base interactions energy: -103.613
where: short stacking energy: -35.178
Base-Backbone interact. energy: -0.726
local terms energy: -45.145946
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -11.489
flat angles C4'-P-C4' energy: -11.075
flat angles P-C4'-P energy: -1.881
tors. eta vs tors. theta energy: -9.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -115.544353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.544353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.544353 (E_RNA)
where:
Base-Base interactions energy: -70.948
where: short stacking energy: -31.516
Base-Backbone interact. energy: -0.216
local terms energy: -44.379534
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -10.687
flat angles C4'-P-C4' energy: -10.708
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -4.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -105.154477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.154477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.154477 (E_RNA)
where:
Base-Base interactions energy: -62.972
where: short stacking energy: -24.397
Base-Backbone interact. energy: -0.049
local terms energy: -42.133636
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -10.644
flat angles C4'-P-C4' energy: -5.355
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -7.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -101.594304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.594304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.594304 (E_RNA)
where:
Base-Base interactions energy: -57.083
where: short stacking energy: -25.077
Base-Backbone interact. energy: -0.160
local terms energy: -44.350871
where:
bonds (distance) C4'-P energy: -7.147
bonds (distance) P-C4' energy: -12.741
flat angles C4'-P-C4' energy: -10.916
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -5.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -66.954241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.954241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.954241 (E_RNA)
where:
Base-Base interactions energy: -25.972
where: short stacking energy: -23.612
Base-Backbone interact. energy: -0.157
local terms energy: -40.825422
where:
bonds (distance) C4'-P energy: -9.148
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -8.188
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -4.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -61.587364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.587364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.587364 (E_RNA)
where:
Base-Base interactions energy: -22.711
where: short stacking energy: -19.317
Base-Backbone interact. energy: -0.158
local terms energy: -38.718069
where:
bonds (distance) C4'-P energy: -9.673
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -8.090
flat angles P-C4'-P energy: -5.508
tors. eta vs tors. theta energy: -4.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -67.613400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.613400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.613400 (E_RNA)
where:
Base-Base interactions energy: -27.294
where: short stacking energy: -19.664
Base-Backbone interact. energy: -0.039
local terms energy: -40.280290
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -8.525
flat angles P-C4'-P energy: -5.557
tors. eta vs tors. theta energy: -2.138
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: 8, replica: 9
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -58.164409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.164409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.164409 (E_RNA)
where:
Base-Base interactions energy: -22.178
where: short stacking energy: -20.881
Base-Backbone interact. energy: -0.124
local terms energy: -35.862552
where:
bonds (distance) C4'-P energy: -6.534
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -9.481
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -2.590
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: 9, replica: 10
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -52.568107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.568107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.568107 (E_RNA)
where:
Base-Base interactions energy: -14.541
where: short stacking energy: -11.307
Base-Backbone interact. energy: -0.330
local terms energy: -37.696861
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -9.929
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: 2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -56.735998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.735998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.735998 (E_RNA)
where:
Base-Base interactions energy: -18.529
where: short stacking energy: -15.506
Base-Backbone interact. energy: -0.358
local terms energy: -37.849005
where:
bonds (distance) C4'-P energy: -8.699
bonds (distance) P-C4' energy: -10.253
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -4.673
tors. eta vs tors. theta energy: -3.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -115.431214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.431214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.431214 (E_RNA)
where:
Base-Base interactions energy: -65.514
where: short stacking energy: -32.665
Base-Backbone interact. energy: 0.529
local terms energy: -50.447099
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -5.819
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: 2, replica: 6
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -137.761981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.761981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.761981 (E_RNA)
where:
Base-Base interactions energy: -87.770
where: short stacking energy: -38.958
Base-Backbone interact. energy: 0.482
local terms energy: -50.474892
where:
bonds (distance) C4'-P energy: -9.694
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -5.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -101.913879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.913879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.913879 (E_RNA)
where:
Base-Base interactions energy: -61.461
where: short stacking energy: -21.843
Base-Backbone interact. energy: -0.613
local terms energy: -39.840357
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -1.208
tors. eta vs tors. theta energy: -3.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -112.240444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.240444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.240444 (E_RNA)
where:
Base-Base interactions energy: -63.732
where: short stacking energy: -33.414
Base-Backbone interact. energy: -0.005
local terms energy: -48.503359
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -10.489
flat angles P-C4'-P energy: -6.531
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: 5, replica: 4
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -67.388000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.388000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.388000 (E_RNA)
where:
Base-Base interactions energy: -26.621
where: short stacking energy: -25.642
Base-Backbone interact. energy: -0.151
local terms energy: -40.615661
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -8.385
flat angles P-C4'-P energy: -6.757
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: 6, replica: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -86.627023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.627023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.627023 (E_RNA)
where:
Base-Base interactions energy: -38.704
where: short stacking energy: -32.926
Base-Backbone interact. energy: -0.712
local terms energy: -47.211525
where:
bonds (distance) C4'-P energy: -7.196
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: -8.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -64.241418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.241418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.241418 (E_RNA)
where:
Base-Base interactions energy: -24.773
where: short stacking energy: -23.712
Base-Backbone interact. energy: -0.032
local terms energy: -39.436219
where:
bonds (distance) C4'-P energy: -6.485
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -9.731
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -4.379
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: 8, replica: 9
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -60.019427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.019427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.019427 (E_RNA)
where:
Base-Base interactions energy: -18.377
where: short stacking energy: -17.192
Base-Backbone interact. energy: -0.006
local terms energy: -41.636295
where:
bonds (distance) C4'-P energy: -8.961
bonds (distance) P-C4' energy: -8.938
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -3.692
tors. eta vs tors. theta energy: -7.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -54.333349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.333349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.333349 (E_RNA)
where:
Base-Base interactions energy: -18.780
where: short stacking energy: -18.780
Base-Backbone interact. energy: 0.075
local terms energy: -35.628061
where:
bonds (distance) C4'-P energy: -9.150
bonds (distance) P-C4' energy: -11.094
flat angles C4'-P-C4' energy: -8.769
flat angles P-C4'-P energy: -4.177
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: 10, replica: 10
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -52.975438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.975438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.975438 (E_RNA)
where:
Base-Base interactions energy: -13.315
where: short stacking energy: -12.630
Base-Backbone interact. energy: -0.643
local terms energy: -39.016944
where:
bonds (distance) C4'-P energy: -7.433
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -10.055
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: 0.410
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: 1, replica: 7
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -109.229097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.229097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.229097 (E_RNA)
where:
Base-Base interactions energy: -61.960
where: short stacking energy: -34.852
Base-Backbone interact. energy: -0.022
local terms energy: -47.247585
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -9.269
flat angles C4'-P-C4' energy: -10.099
flat angles P-C4'-P energy: -6.523
tors. eta vs tors. theta energy: -10.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -141.086272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.086272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.086272 (E_RNA)
where:
Base-Base interactions energy: -95.891
where: short stacking energy: -43.165
Base-Backbone interact. energy: -0.705
local terms energy: -44.489799
where:
bonds (distance) C4'-P energy: -8.388
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -9.504
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: -9.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -108.774096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.774096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.774096 (E_RNA)
where:
Base-Base interactions energy: -67.309
where: short stacking energy: -27.719
Base-Backbone interact. energy: -0.119
local terms energy: -41.345887
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -7.567
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -1.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -103.740875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.740875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.740875 (E_RNA)
where:
Base-Base interactions energy: -59.070
where: short stacking energy: -39.184
Base-Backbone interact. energy: -0.253
local terms energy: -44.417712
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -10.828
flat angles C4'-P-C4' energy: -7.783
flat angles P-C4'-P energy: -7.066
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: 5, replica: 4
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -60.967664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.967664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.967664 (E_RNA)
where:
Base-Base interactions energy: -22.570
where: short stacking energy: -17.816
Base-Backbone interact. energy: -0.106
local terms energy: -38.291814
where:
bonds (distance) C4'-P energy: -10.752
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -7.889
flat angles P-C4'-P energy: -6.869
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: 6, replica: 1
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -73.939458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.939458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.939458 (E_RNA)
where:
Base-Base interactions energy: -36.827
where: short stacking energy: -21.544
Base-Backbone interact. energy: 1.825
local terms energy: -38.937804
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -8.074
flat angles P-C4'-P energy: -3.953
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: 7, replica: 5
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -61.518186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.518186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.518186 (E_RNA)
where:
Base-Base interactions energy: -26.775
where: short stacking energy: -21.207
Base-Backbone interact. energy: -0.080
local terms energy: -34.663746
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -8.032
flat angles P-C4'-P energy: -0.774
tors. eta vs tors. theta energy: -2.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -59.429083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.429083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.429083 (E_RNA)
where:
Base-Base interactions energy: -27.470
where: short stacking energy: -4.914
Base-Backbone interact. energy: -0.190
local terms energy: -31.769318
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -8.183
flat angles P-C4'-P energy: -2.528
tors. eta vs tors. theta energy: 1.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -52.645123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.645123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.645123 (E_RNA)
where:
Base-Base interactions energy: -17.597
where: short stacking energy: -17.597
Base-Backbone interact. energy: -0.163
local terms energy: -34.885114
where:
bonds (distance) C4'-P energy: -7.080
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -10.436
flat angles P-C4'-P energy: -5.094
tors. eta vs tors. theta energy: 0.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -58.454363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.454363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.454363 (E_RNA)
where:
Base-Base interactions energy: -26.574
where: short stacking energy: -8.664
Base-Backbone interact. energy: 0.064
local terms energy: -31.943491
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -10.711
flat angles C4'-P-C4' energy: -5.009
flat angles P-C4'-P energy: -4.955
tors. eta vs tors. theta energy: -0.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -137.510078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.510078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.510078 (E_RNA)
where:
Base-Base interactions energy: -90.295
where: short stacking energy: -34.886
Base-Backbone interact. energy: -0.255
local terms energy: -46.959595
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -9.727
flat angles C4'-P-C4' energy: -10.664
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -6.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -111.440555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.440555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.440555 (E_RNA)
where:
Base-Base interactions energy: -72.317
where: short stacking energy: -24.339
Base-Backbone interact. energy: -0.354
local terms energy: -38.768862
where:
bonds (distance) C4'-P energy: -8.642
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -7.648
flat angles P-C4'-P energy: -4.657
tors. eta vs tors. theta energy: -4.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -110.082904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.082904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.082904 (E_RNA)
where:
Base-Base interactions energy: -68.209
where: short stacking energy: -36.391
Base-Backbone interact. energy: 0.910
local terms energy: -42.783966
where:
bonds (distance) C4'-P energy: -7.073
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -4.616
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: 4, replica: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -99.554337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.554337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.554337 (E_RNA)
where:
Base-Base interactions energy: -56.627
where: short stacking energy: -21.281
Base-Backbone interact. energy: -0.165
local terms energy: -42.762846
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -11.305
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -5.959
tors. eta vs tors. theta energy: -4.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -64.964409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.964409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.964409 (E_RNA)
where:
Base-Base interactions energy: -26.274
where: short stacking energy: -22.857
Base-Backbone interact. energy: -0.016
local terms energy: -38.675054
where:
bonds (distance) C4'-P energy: -8.447
bonds (distance) P-C4' energy: -9.349
flat angles C4'-P-C4' energy: -11.198
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -2.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -72.888969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.888969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.888969 (E_RNA)
where:
Base-Base interactions energy: -30.792
where: short stacking energy: -21.758
Base-Backbone interact. energy: -0.252
local terms energy: -41.844597
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -10.655
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -6.866
tors. eta vs tors. theta energy: -2.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -60.735422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.735422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.735422 (E_RNA)
where:
Base-Base interactions energy: -21.373
where: short stacking energy: -21.373
Base-Backbone interact. energy: 0.417
local terms energy: -39.779548
where:
bonds (distance) C4'-P energy: -10.045
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -8.540
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: -4.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -65.319850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.319850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.319850 (E_RNA)
where:
Base-Base interactions energy: -28.062
where: short stacking energy: -13.260
Base-Backbone interact. energy: -0.198
local terms energy: -37.059763
where:
bonds (distance) C4'-P energy: -5.427
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -10.420
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -1.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -53.487934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.487934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.487934 (E_RNA)
where:
Base-Base interactions energy: -22.032
where: short stacking energy: -19.678
Base-Backbone interact. energy: -0.556
local terms energy: -30.900093
where:
bonds (distance) C4'-P energy: -7.002
bonds (distance) P-C4' energy: -9.054
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -6.451
tors. eta vs tors. theta energy: 2.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -57.991526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.991526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.991526 (E_RNA)
where:
Base-Base interactions energy: -27.086
where: short stacking energy: -17.598
Base-Backbone interact. energy: -0.068
local terms energy: -30.837379
where:
bonds (distance) C4'-P energy: -8.620
bonds (distance) P-C4' energy: -6.708
flat angles C4'-P-C4' energy: -9.270
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: -0.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -148.909010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.909010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.909010 (E_RNA)
where:
Base-Base interactions energy: -101.879
where: short stacking energy: -32.412
Base-Backbone interact. energy: -0.537
local terms energy: -46.492908
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -5.084
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: 2, replica: 3
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -124.892992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.892992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.892992 (E_RNA)
where:
Base-Base interactions energy: -76.976
where: short stacking energy: -35.874
Base-Backbone interact. energy: -0.304
local terms energy: -47.613497
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -8.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -114.731052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.731052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.731052 (E_RNA)
where:
Base-Base interactions energy: -71.596
where: short stacking energy: -22.567
Base-Backbone interact. energy: -0.375
local terms energy: -42.759714
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -7.215
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -1.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -81.928610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.928610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.928610 (E_RNA)
where:
Base-Base interactions energy: -40.281
where: short stacking energy: -23.098
Base-Backbone interact. energy: -0.103
local terms energy: -41.544786
where:
bonds (distance) C4'-P energy: -8.551
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -10.244
flat angles P-C4'-P energy: -1.753
tors. eta vs tors. theta energy: -8.961
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: 5, replica: 1
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -67.686714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.686714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.686714 (E_RNA)
where:
Base-Base interactions energy: -28.470
where: short stacking energy: -19.761
Base-Backbone interact. energy: -1.276
local terms energy: -37.940687
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -7.604
flat angles P-C4'-P energy: -6.498
tors. eta vs tors. theta energy: -1.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -77.881190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.881190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.881190 (E_RNA)
where:
Base-Base interactions energy: -36.843
where: short stacking energy: -20.632
Base-Backbone interact. energy: -0.153
local terms energy: -40.884400
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -9.033
flat angles P-C4'-P energy: -5.468
tors. eta vs tors. theta energy: -4.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -72.382241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.382241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.382241 (E_RNA)
where:
Base-Base interactions energy: -28.272
where: short stacking energy: -22.267
Base-Backbone interact. energy: -0.048
local terms energy: -44.062149
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -12.131
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -7.134
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: 8, replica: 10
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -61.304825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.304825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.304825 (E_RNA)
where:
Base-Base interactions energy: -18.169
where: short stacking energy: -18.169
Base-Backbone interact. energy: -0.042
local terms energy: -43.094021
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -7.461
flat angles C4'-P-C4' energy: -11.178
flat angles P-C4'-P energy: -6.654
tors. eta vs tors. theta energy: -7.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -59.277939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.277939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.277939 (E_RNA)
where:
Base-Base interactions energy: -21.018
where: short stacking energy: -21.018
Base-Backbone interact. energy: -0.080
local terms energy: -38.180283
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -12.223
flat angles C4'-P-C4' energy: -7.961
flat angles P-C4'-P energy: -2.532
tors. eta vs tors. theta energy: -4.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -59.663007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.663007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.663007 (E_RNA)
where:
Base-Base interactions energy: -18.617
where: short stacking energy: -18.617
Base-Backbone interact. energy: -0.156
local terms energy: -40.890117
where:
bonds (distance) C4'-P energy: -8.269
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -10.153
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: -3.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -140.311919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.311919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.311919 (E_RNA)
where:
Base-Base interactions energy: -93.911
where: short stacking energy: -34.201
Base-Backbone interact. energy: -1.190
local terms energy: -45.211237
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -12.312
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -4.969
tors. eta vs tors. theta energy: -5.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -134.483657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.483657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.483657 (E_RNA)
where:
Base-Base interactions energy: -79.670
where: short stacking energy: -51.710
Base-Backbone interact. energy: 1.267
local terms energy: -56.080742
where:
bonds (distance) C4'-P energy: -8.074
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -13.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -120.134121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.134121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.134121 (E_RNA)
where:
Base-Base interactions energy: -75.498
where: short stacking energy: -26.515
Base-Backbone interact. energy: -0.111
local terms energy: -44.525352
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -8.956
flat angles P-C4'-P energy: -2.069
tors. eta vs tors. theta energy: -11.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -72.236706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.236706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.236706 (E_RNA)
where:
Base-Base interactions energy: -40.562
where: short stacking energy: -22.553
Base-Backbone interact. energy: -0.001
local terms energy: -31.673214
where:
bonds (distance) C4'-P energy: -7.412
bonds (distance) P-C4' energy: -8.655
flat angles C4'-P-C4' energy: -6.019
flat angles P-C4'-P energy: -1.781
tors. eta vs tors. theta energy: -7.805
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: 8
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -78.280113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.280113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.280113 (E_RNA)
where:
Base-Base interactions energy: -40.777
where: short stacking energy: -22.417
Base-Backbone interact. energy: -0.283
local terms energy: -37.220382
where:
bonds (distance) C4'-P energy: -9.822
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -10.292
flat angles P-C4'-P energy: -5.895
tors. eta vs tors. theta energy: 1.642
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: 1
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -64.739327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.739327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.739327 (E_RNA)
where:
Base-Base interactions energy: -23.767
where: short stacking energy: -23.214
Base-Backbone interact. energy: -0.003
local terms energy: -40.968465
where:
bonds (distance) C4'-P energy: -10.190
bonds (distance) P-C4' energy: -9.787
flat angles C4'-P-C4' energy: -8.792
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -4.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -63.354040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.354040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.354040 (E_RNA)
where:
Base-Base interactions energy: -26.258
where: short stacking energy: -17.699
Base-Backbone interact. energy: -0.057
local terms energy: -37.038964
where:
bonds (distance) C4'-P energy: -6.877
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -9.479
flat angles P-C4'-P energy: -7.892
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: 8, replica: 4
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -69.593221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.593221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.593221 (E_RNA)
where:
Base-Base interactions energy: -34.694
where: short stacking energy: -23.604
Base-Backbone interact. energy: 0.375
local terms energy: -35.274616
where:
bonds (distance) C4'-P energy: -8.906
bonds (distance) P-C4' energy: -8.827
flat angles C4'-P-C4' energy: -7.894
flat angles P-C4'-P energy: -5.147
tors. eta vs tors. theta energy: -4.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -55.572845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.572845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.572845 (E_RNA)
where:
Base-Base interactions energy: -15.795
where: short stacking energy: -13.753
Base-Backbone interact. energy: -0.025
local terms energy: -39.753150
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -10.053
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: 1.685
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: 5
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -58.207394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.207394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.207394 (E_RNA)
where:
Base-Base interactions energy: -22.054
where: short stacking energy: -22.054
Base-Backbone interact. energy: -0.001
local terms energy: -36.152857
where:
bonds (distance) C4'-P energy: -9.734
bonds (distance) P-C4' energy: -6.702
flat angles C4'-P-C4' energy: -9.175
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -3.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -137.985928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.985928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.985928 (E_RNA)
where:
Base-Base interactions energy: -94.117
where: short stacking energy: -39.190
Base-Backbone interact. energy: 1.102
local terms energy: -44.970844
where:
bonds (distance) C4'-P energy: -9.067
bonds (distance) P-C4' energy: -9.061
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: -8.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -131.859190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.859190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.859190 (E_RNA)
where:
Base-Base interactions energy: -83.985
where: short stacking energy: -37.178
Base-Backbone interact. energy: -0.291
local terms energy: -47.583537
where:
bonds (distance) C4'-P energy: -9.848
bonds (distance) P-C4' energy: -8.247
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -9.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -115.407258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.407258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.407258 (E_RNA)
where:
Base-Base interactions energy: -67.982
where: short stacking energy: -35.131
Base-Backbone interact. energy: 0.001
local terms energy: -47.426066
where:
bonds (distance) C4'-P energy: -5.838
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -10.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -85.898763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.898763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.898763 (E_RNA)
where:
Base-Base interactions energy: -48.762
where: short stacking energy: -17.383
Base-Backbone interact. energy: -0.173
local terms energy: -36.963135
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -7.695
flat angles C4'-P-C4' energy: -9.535
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: -1.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -68.002567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.002567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.002567 (E_RNA)
where:
Base-Base interactions energy: -30.608
where: short stacking energy: -14.290
Base-Backbone interact. energy: 0.738
local terms energy: -38.132850
where:
bonds (distance) C4'-P energy: -8.874
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: 0.374
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: 10
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -84.032353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.032353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.032353 (E_RNA)
where:
Base-Base interactions energy: -42.154
where: short stacking energy: -22.730
Base-Backbone interact. energy: 0.042
local terms energy: -41.919520
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -9.441
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -6.032
tors. eta vs tors. theta energy: -4.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -63.338139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.338139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.338139 (E_RNA)
where:
Base-Base interactions energy: -25.919
where: short stacking energy: -22.138
Base-Backbone interact. energy: -0.126
local terms energy: -37.293668
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -9.566
flat angles C4'-P-C4' energy: -5.297
flat angles P-C4'-P energy: -5.629
tors. eta vs tors. theta energy: -5.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -62.135590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.135590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.135590 (E_RNA)
where:
Base-Base interactions energy: -26.348
where: short stacking energy: -16.227
Base-Backbone interact. energy: -0.123
local terms energy: -35.664390
where:
bonds (distance) C4'-P energy: -10.003
bonds (distance) P-C4' energy: -9.724
flat angles C4'-P-C4' energy: -7.127
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -1.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -51.579803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.579803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.579803 (E_RNA)
where:
Base-Base interactions energy: -21.667
where: short stacking energy: -10.858
Base-Backbone interact. energy: 2.250
local terms energy: -32.162241
where:
bonds (distance) C4'-P energy: -7.933
bonds (distance) P-C4' energy: -8.642
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: 2.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -52.998080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.998080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.998080 (E_RNA)
where:
Base-Base interactions energy: -16.646
where: short stacking energy: -14.157
Base-Backbone interact. energy: -0.046
local terms energy: -36.305999
where:
bonds (distance) C4'-P energy: -7.163
bonds (distance) P-C4' energy: -9.692
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -1.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -138.350981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.350981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.350981 (E_RNA)
where:
Base-Base interactions energy: -89.937
where: short stacking energy: -42.320
Base-Backbone interact. energy: -0.134
local terms energy: -48.280650
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -10.581
flat angles C4'-P-C4' energy: -10.437
flat angles P-C4'-P energy: -5.042
tors. eta vs tors. theta energy: -11.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -115.030131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.030131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.030131 (E_RNA)
where:
Base-Base interactions energy: -70.758
where: short stacking energy: -29.677
Base-Backbone interact. energy: -0.240
local terms energy: -44.031849
where:
bonds (distance) C4'-P energy: -8.512
bonds (distance) P-C4' energy: -10.153
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -6.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -112.418388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.418388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.418388 (E_RNA)
where:
Base-Base interactions energy: -68.564
where: short stacking energy: -34.523
Base-Backbone interact. energy: -0.119
local terms energy: -43.735564
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -3.276
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: 4, replica: 3
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -104.935336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.935336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.935336 (E_RNA)
where:
Base-Base interactions energy: -56.752
where: short stacking energy: -20.938
Base-Backbone interact. energy: -0.014
local terms energy: -48.169224
where:
bonds (distance) C4'-P energy: -10.710
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -9.855
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -8.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -82.171053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.171053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.171053 (E_RNA)
where:
Base-Base interactions energy: -36.161
where: short stacking energy: -31.802
Base-Backbone interact. energy: -0.000
local terms energy: -46.009659
where:
bonds (distance) C4'-P energy: -7.188
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -9.998
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -9.596
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: 2
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -70.224388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.224388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.224388 (E_RNA)
where:
Base-Base interactions energy: -28.154
where: short stacking energy: -23.780
Base-Backbone interact. energy: -0.058
local terms energy: -42.012188
where:
bonds (distance) C4'-P energy: -8.562
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -10.594
flat angles P-C4'-P energy: -5.668
tors. eta vs tors. theta energy: -4.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -65.667529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.667529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.667529 (E_RNA)
where:
Base-Base interactions energy: -34.453
where: short stacking energy: -11.391
Base-Backbone interact. energy: -0.106
local terms energy: -31.108674
where:
bonds (distance) C4'-P energy: -8.141
bonds (distance) P-C4' energy: -9.315
flat angles C4'-P-C4' energy: -10.370
flat angles P-C4'-P energy: -0.987
tors. eta vs tors. theta energy: -2.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -60.053889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.053889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.053889 (E_RNA)
where:
Base-Base interactions energy: -29.715
where: short stacking energy: -22.580
Base-Backbone interact. energy: -0.014
local terms energy: -30.324142
where:
bonds (distance) C4'-P energy: -5.706
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -3.749
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -3.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -57.977326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.977326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.977326 (E_RNA)
where:
Base-Base interactions energy: -15.092
where: short stacking energy: -13.860
Base-Backbone interact. energy: 0.372
local terms energy: -43.257570
where:
bonds (distance) C4'-P energy: -10.057
bonds (distance) P-C4' energy: -12.897
flat angles C4'-P-C4' energy: -7.187
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -4.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -57.997386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.997386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.997386 (E_RNA)
where:
Base-Base interactions energy: -22.251
where: short stacking energy: -19.402
Base-Backbone interact. energy: 0.180
local terms energy: -35.926488
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -8.905
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -2.618
tors. eta vs tors. theta energy: -1.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -144.907676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.907676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.907676 (E_RNA)
where:
Base-Base interactions energy: -93.434
where: short stacking energy: -39.981
Base-Backbone interact. energy: 0.322
local terms energy: -51.795709
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -7.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -112.840497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.840497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.840497 (E_RNA)
where:
Base-Base interactions energy: -65.727
where: short stacking energy: -26.620
Base-Backbone interact. energy: -1.423
local terms energy: -45.690775
where:
bonds (distance) C4'-P energy: -9.390
bonds (distance) P-C4' energy: -10.954
flat angles C4'-P-C4' energy: -9.260
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -9.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -101.336674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.336674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.336674 (E_RNA)
where:
Base-Base interactions energy: -60.162
where: short stacking energy: -28.997
Base-Backbone interact. energy: -0.137
local terms energy: -41.037625
where:
bonds (distance) C4'-P energy: -7.401
bonds (distance) P-C4' energy: -11.173
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -4.852
tors. eta vs tors. theta energy: -5.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -109.341199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.341199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.341199 (E_RNA)
where:
Base-Base interactions energy: -63.108
where: short stacking energy: -27.605
Base-Backbone interact. energy: -0.738
local terms energy: -45.494716
where:
bonds (distance) C4'-P energy: -8.181
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -9.141
flat angles P-C4'-P energy: -5.084
tors. eta vs tors. theta energy: -10.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -72.286864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.286864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.286864 (E_RNA)
where:
Base-Base interactions energy: -35.537
where: short stacking energy: -17.640
Base-Backbone interact. energy: -0.699
local terms energy: -36.050025
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -6.798
flat angles P-C4'-P energy: -5.057
tors. eta vs tors. theta energy: -2.586
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: 9
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -69.872409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.872409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.872409 (E_RNA)
where:
Base-Base interactions energy: -35.776
where: short stacking energy: -19.021
Base-Backbone interact. energy: -0.347
local terms energy: -33.749749
where:
bonds (distance) C4'-P energy: -7.427
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -7.147
flat angles P-C4'-P energy: -3.015
tors. eta vs tors. theta energy: -3.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -66.372272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.372272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.372272 (E_RNA)
where:
Base-Base interactions energy: -30.256
where: short stacking energy: -24.111
Base-Backbone interact. energy: 0.716
local terms energy: -36.832497
where:
bonds (distance) C4'-P energy: -3.874
bonds (distance) P-C4' energy: -11.634
flat angles C4'-P-C4' energy: -9.483
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -2.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -62.227950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.227950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.227950 (E_RNA)
where:
Base-Base interactions energy: -20.837
where: short stacking energy: -14.655
Base-Backbone interact. energy: -0.013
local terms energy: -41.377628
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -7.094
flat angles P-C4'-P energy: -4.624
tors. eta vs tors. theta energy: -3.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -66.703902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.703902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.703902 (E_RNA)
where:
Base-Base interactions energy: -30.813
where: short stacking energy: -21.164
Base-Backbone interact. energy: -0.002
local terms energy: -35.889024
where:
bonds (distance) C4'-P energy: -8.324
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -1.459
tors. eta vs tors. theta energy: -3.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -50.774939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.774939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.774939 (E_RNA)
where:
Base-Base interactions energy: -16.737
where: short stacking energy: -14.254
Base-Backbone interact. energy: -0.002
local terms energy: -34.035993
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -5.259
flat angles P-C4'-P energy: -4.780
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: 7
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -124.374418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.374418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.374418 (E_RNA)
where:
Base-Base interactions energy: -75.142
where: short stacking energy: -29.532
Base-Backbone interact. energy: -0.686
local terms energy: -48.546937
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -9.791
flat angles C4'-P-C4' energy: -8.553
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -10.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -138.593608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.593608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.593608 (E_RNA)
where:
Base-Base interactions energy: -86.206
where: short stacking energy: -40.748
Base-Backbone interact. energy: -0.348
local terms energy: -52.039828
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -9.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -113.837787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.837787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.837787 (E_RNA)
where:
Base-Base interactions energy: -70.499
where: short stacking energy: -14.012
Base-Backbone interact. energy: -0.441
local terms energy: -42.898058
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -6.719
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: 4, replica: 8
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -103.389987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.389987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.389987 (E_RNA)
where:
Base-Base interactions energy: -61.226
where: short stacking energy: -31.603
Base-Backbone interact. energy: -0.092
local terms energy: -42.072065
where:
bonds (distance) C4'-P energy: -7.482
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -10.107
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -5.127
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: 5, replica: 9
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -101.483362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.483362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.483362 (E_RNA)
where:
Base-Base interactions energy: -48.535
where: short stacking energy: -28.411
Base-Backbone interact. energy: 1.344
local terms energy: -54.292637
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -9.234
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -9.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -72.080542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.080542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.080542 (E_RNA)
where:
Base-Base interactions energy: -29.551
where: short stacking energy: -24.533
Base-Backbone interact. energy: -0.343
local terms energy: -42.186766
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -9.541
flat angles C4'-P-C4' energy: -8.165
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: -6.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -60.595301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.595301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.595301 (E_RNA)
where:
Base-Base interactions energy: -22.862
where: short stacking energy: -18.397
Base-Backbone interact. energy: -0.129
local terms energy: -37.605113
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -9.508
flat angles P-C4'-P energy: -5.781
tors. eta vs tors. theta energy: 1.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -55.541129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.541129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.541129 (E_RNA)
where:
Base-Base interactions energy: -20.174
where: short stacking energy: -20.174
Base-Backbone interact. energy: -0.042
local terms energy: -35.324935
where:
bonds (distance) C4'-P energy: -9.150
bonds (distance) P-C4' energy: -10.686
flat angles C4'-P-C4' energy: -7.510
flat angles P-C4'-P energy: -4.273
tors. eta vs tors. theta energy: -3.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -52.550864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.550864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.550864 (E_RNA)
where:
Base-Base interactions energy: -24.267
where: short stacking energy: -15.802
Base-Backbone interact. energy: -0.111
local terms energy: -28.173462
where:
bonds (distance) C4'-P energy: -9.995
bonds (distance) P-C4' energy: -9.646
flat angles C4'-P-C4' energy: -3.073
flat angles P-C4'-P energy: -4.868
tors. eta vs tors. theta energy: -0.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -57.497384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.497384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.497384 (E_RNA)
where:
Base-Base interactions energy: -20.596
where: short stacking energy: -16.678
Base-Backbone interact. energy: -0.113
local terms energy: -36.787768
where:
bonds (distance) C4'-P energy: -9.804
bonds (distance) P-C4' energy: -10.214
flat angles C4'-P-C4' energy: -10.105
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: 2.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -127.965373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.965373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.965373 (E_RNA)
where:
Base-Base interactions energy: -73.332
where: short stacking energy: -28.623
Base-Backbone interact. energy: -0.848
local terms energy: -53.785160
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -10.389
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -10.752
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: 6
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -137.535849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.535849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.535849 (E_RNA)
where:
Base-Base interactions energy: -82.321
where: short stacking energy: -35.798
Base-Backbone interact. energy: -0.048
local terms energy: -55.166659
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -10.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -100.548402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.548402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.548402 (E_RNA)
where:
Base-Base interactions energy: -53.255
where: short stacking energy: -24.296
Base-Backbone interact. energy: -0.063
local terms energy: -47.230646
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -10.825
flat angles P-C4'-P energy: -5.017
tors. eta vs tors. theta energy: -5.866
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: 9
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -93.875625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.875625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.875625 (E_RNA)
where:
Base-Base interactions energy: -53.017
where: short stacking energy: -17.234
Base-Backbone interact. energy: -0.055
local terms energy: -40.803110
where:
bonds (distance) C4'-P energy: -9.688
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -8.588
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -0.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -62.958639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.958639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.958639 (E_RNA)
where:
Base-Base interactions energy: -19.201
where: short stacking energy: -19.201
Base-Backbone interact. energy: -0.031
local terms energy: -43.726118
where:
bonds (distance) C4'-P energy: -9.563
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -8.121
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: 6, replica: 5
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -67.205608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.205608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.205608 (E_RNA)
where:
Base-Base interactions energy: -27.184
where: short stacking energy: -18.711
Base-Backbone interact. energy: 0.707
local terms energy: -40.728474
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -4.765
flat angles P-C4'-P energy: -6.575
tors. eta vs tors. theta energy: -6.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -65.411430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.411430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.411430 (E_RNA)
where:
Base-Base interactions energy: -23.181
where: short stacking energy: -17.121
Base-Backbone interact. energy: -0.453
local terms energy: -41.778235
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -10.833
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -5.494
tors. eta vs tors. theta energy: -3.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -70.120617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.120617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.120617 (E_RNA)
where:
Base-Base interactions energy: -32.591
where: short stacking energy: -21.322
Base-Backbone interact. energy: -0.164
local terms energy: -37.365657
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -8.507
flat angles C4'-P-C4' energy: -6.750
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -3.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -56.685840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.685840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.685840 (E_RNA)
where:
Base-Base interactions energy: -13.177
where: short stacking energy: -13.177
Base-Backbone interact. energy: -0.129
local terms energy: -43.380179
where:
bonds (distance) C4'-P energy: -9.673
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -9.740
flat angles P-C4'-P energy: -8.178
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: 10, replica: 1
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -55.491435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.491435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.491435 (E_RNA)
where:
Base-Base interactions energy: -26.393
where: short stacking energy: -11.622
Base-Backbone interact. energy: -0.147
local terms energy: -28.951359
where:
bonds (distance) C4'-P energy: -7.002
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -8.336
flat angles P-C4'-P energy: -5.199
tors. eta vs tors. theta energy: 3.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -141.057534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.057534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.057534 (E_RNA)
where:
Base-Base interactions energy: -98.365
where: short stacking energy: -41.075
Base-Backbone interact. energy: -0.179
local terms energy: -42.513857
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -4.040
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -8.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -130.144548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.144548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.144548 (E_RNA)
where:
Base-Base interactions energy: -81.982
where: short stacking energy: -36.874
Base-Backbone interact. energy: -0.704
local terms energy: -47.458840
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -10.123
flat angles C4'-P-C4' energy: -10.214
flat angles P-C4'-P energy: -8.160
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: 3, replica: 9
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -102.516767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.516767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.516767 (E_RNA)
where:
Base-Base interactions energy: -58.123
where: short stacking energy: -20.826
Base-Backbone interact. energy: -0.138
local terms energy: -44.256169
where:
bonds (distance) C4'-P energy: -9.672
bonds (distance) P-C4' energy: -10.793
flat angles C4'-P-C4' energy: -9.924
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -4.298
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: 3
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -86.421767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.421767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.421767 (E_RNA)
where:
Base-Base interactions energy: -46.926
where: short stacking energy: -26.282
Base-Backbone interact. energy: 0.118
local terms energy: -39.613444
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -10.858
flat angles C4'-P-C4' energy: -8.550
flat angles P-C4'-P energy: -2.642
tors. eta vs tors. theta energy: -4.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -93.057883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.057883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.057883 (E_RNA)
where:
Base-Base interactions energy: -47.817
where: short stacking energy: -25.440
Base-Backbone interact. energy: -0.168
local terms energy: -45.071948
where:
bonds (distance) C4'-P energy: -8.323
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -8.361
flat angles P-C4'-P energy: -5.422
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: 6, replica: 8
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -92.917347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.917347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.917347 (E_RNA)
where:
Base-Base interactions energy: -54.479
where: short stacking energy: -21.174
Base-Backbone interact. energy: -0.110
local terms energy: -38.327734
where:
bonds (distance) C4'-P energy: -10.218
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -10.572
flat angles P-C4'-P energy: -3.677
tors. eta vs tors. theta energy: -3.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -64.623601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.623601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.623601 (E_RNA)
where:
Base-Base interactions energy: -28.822
where: short stacking energy: -27.109
Base-Backbone interact. energy: -0.325
local terms energy: -35.476217
where:
bonds (distance) C4'-P energy: -9.523
bonds (distance) P-C4' energy: -8.618
flat angles C4'-P-C4' energy: -4.001
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -4.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -58.725667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.725667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.725667 (E_RNA)
where:
Base-Base interactions energy: -13.758
where: short stacking energy: -11.729
Base-Backbone interact. energy: -0.005
local terms energy: -44.963338
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -1.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -63.079172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.079172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.079172 (E_RNA)
where:
Base-Base interactions energy: -26.971
where: short stacking energy: -17.080
Base-Backbone interact. energy: -0.522
local terms energy: -35.586951
where:
bonds (distance) C4'-P energy: -9.044
bonds (distance) P-C4' energy: -10.178
flat angles C4'-P-C4' energy: -5.475
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -3.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -53.552873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.552873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.552873 (E_RNA)
where:
Base-Base interactions energy: -13.731
where: short stacking energy: -12.535
Base-Backbone interact. energy: -0.156
local terms energy: -39.665367
where:
bonds (distance) C4'-P energy: -8.704
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: 0.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -134.682026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.682026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.682026 (E_RNA)
where:
Base-Base interactions energy: -89.166
where: short stacking energy: -24.618
Base-Backbone interact. energy: -0.029
local terms energy: -45.487021
where:
bonds (distance) C4'-P energy: -9.821
bonds (distance) P-C4' energy: -9.161
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -8.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -123.665529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.665529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.665529 (E_RNA)
where:
Base-Base interactions energy: -79.084
where: short stacking energy: -34.893
Base-Backbone interact. energy: -0.071
local terms energy: -44.510730
where:
bonds (distance) C4'-P energy: -9.489
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -9.009
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -6.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -97.205442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.205442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.205442 (E_RNA)
where:
Base-Base interactions energy: -48.062
where: short stacking energy: -37.874
Base-Backbone interact. energy: -0.032
local terms energy: -49.111611
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -8.823
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -5.566
tors. eta vs tors. theta energy: -12.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -112.545953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.545953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.545953 (E_RNA)
where:
Base-Base interactions energy: -60.928
where: short stacking energy: -30.361
Base-Backbone interact. energy: -1.116
local terms energy: -50.502197
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -7.694
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -11.802
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: 5, replica: 3
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -78.819743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.819743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.819743 (E_RNA)
where:
Base-Base interactions energy: -41.921
where: short stacking energy: -22.808
Base-Backbone interact. energy: -0.007
local terms energy: -36.892474
where:
bonds (distance) C4'-P energy: -7.416
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -6.534
flat angles P-C4'-P energy: -5.918
tors. eta vs tors. theta energy: -4.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -73.500841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.500841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.500841 (E_RNA)
where:
Base-Base interactions energy: -27.004
where: short stacking energy: -27.004
Base-Backbone interact. energy: -0.001
local terms energy: -46.496258
where:
bonds (distance) C4'-P energy: -7.051
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -4.170
tors. eta vs tors. theta energy: -10.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -85.124767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.124767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.124767 (E_RNA)
where:
Base-Base interactions energy: -60.813
where: short stacking energy: -11.887
Base-Backbone interact. energy: -1.022
local terms energy: -23.289372
where:
bonds (distance) C4'-P energy: -6.000
bonds (distance) P-C4' energy: -7.533
flat angles C4'-P-C4' energy: -1.876
flat angles P-C4'-P energy: -6.685
tors. eta vs tors. theta energy: -1.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -58.311104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.311104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.311104 (E_RNA)
where:
Base-Base interactions energy: -23.583
where: short stacking energy: -23.354
Base-Backbone interact. energy: -0.149
local terms energy: -34.579086
where:
bonds (distance) C4'-P energy: -8.993
bonds (distance) P-C4' energy: -6.218
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -3.556
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: 9, replica: 1
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -60.639632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.639632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.639632 (E_RNA)
where:
Base-Base interactions energy: -17.088
where: short stacking energy: -15.269
Base-Backbone interact. energy: 1.422
local terms energy: -44.973538
where:
bonds (distance) C4'-P energy: -10.460
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -8.915
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -4.863
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: 311
Temperature: 1.350000
Total energy: -54.705054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.705054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.705054 (E_RNA)
where:
Base-Base interactions energy: -18.725
where: short stacking energy: -18.680
Base-Backbone interact. energy: -0.002
local terms energy: -35.978189
where:
bonds (distance) C4'-P energy: -5.230
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -7.056
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: 7
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -138.592561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.592561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.592561 (E_RNA)
where:
Base-Base interactions energy: -92.025
where: short stacking energy: -38.706
Base-Backbone interact. energy: 0.101
local terms energy: -46.668268
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -4.644
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -8.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -144.333700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.333700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.333700 (E_RNA)
where:
Base-Base interactions energy: -94.155
where: short stacking energy: -36.591
Base-Backbone interact. energy: -0.384
local terms energy: -49.794678
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -11.864
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -6.540
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: 3, replica: 5
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -90.806907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.806907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.806907 (E_RNA)
where:
Base-Base interactions energy: -45.864
where: short stacking energy: -34.064
Base-Backbone interact. energy: -0.401
local terms energy: -44.541737
where:
bonds (distance) C4'-P energy: -9.022
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -8.827
flat angles P-C4'-P energy: -5.446
tors. eta vs tors. theta energy: -10.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -86.231674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.231674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.231674 (E_RNA)
where:
Base-Base interactions energy: -45.890
where: short stacking energy: -19.975
Base-Backbone interact. energy: -0.044
local terms energy: -40.298131
where:
bonds (distance) C4'-P energy: -10.674
bonds (distance) P-C4' energy: -9.640
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -5.674
tors. eta vs tors. theta energy: -3.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -74.777395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.777395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.777395 (E_RNA)
where:
Base-Base interactions energy: -26.267
where: short stacking energy: -26.267
Base-Backbone interact. energy: -0.002
local terms energy: -48.508144
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -9.191
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -8.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -76.746013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.746013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.746013 (E_RNA)
where:
Base-Base interactions energy: -29.829
where: short stacking energy: -28.201
Base-Backbone interact. energy: -0.011
local terms energy: -46.905127
where:
bonds (distance) C4'-P energy: -9.039
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -6.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -70.180946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.180946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.180946 (E_RNA)
where:
Base-Base interactions energy: -27.664
where: short stacking energy: -23.189
Base-Backbone interact. energy: -0.142
local terms energy: -42.374434
where:
bonds (distance) C4'-P energy: -8.563
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -2.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -76.636571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.636571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.636571 (E_RNA)
where:
Base-Base interactions energy: -29.678
where: short stacking energy: -29.678
Base-Backbone interact. energy: -0.008
local terms energy: -46.950805
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -4.165
tors. eta vs tors. theta energy: -8.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -56.475771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.475771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.475771 (E_RNA)
where:
Base-Base interactions energy: -22.003
where: short stacking energy: -10.546
Base-Backbone interact. energy: -0.235
local terms energy: -34.237841
where:
bonds (distance) C4'-P energy: -8.005
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -9.438
flat angles P-C4'-P energy: -6.751
tors. eta vs tors. theta energy: 3.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -56.337130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.337130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.337130 (E_RNA)
where:
Base-Base interactions energy: -20.199
where: short stacking energy: -19.023
Base-Backbone interact. energy: -0.325
local terms energy: -35.813149
where:
bonds (distance) C4'-P energy: -4.904
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -7.404
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -2.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -118.695662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.695662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.695662 (E_RNA)
where:
Base-Base interactions energy: -73.382
where: short stacking energy: -22.815
Base-Backbone interact. energy: -0.003
local terms energy: -45.311122
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -9.572
flat angles C4'-P-C4' energy: -9.192
flat angles P-C4'-P energy: -4.629
tors. eta vs tors. theta energy: -11.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -137.141226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.141226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.141226 (E_RNA)
where:
Base-Base interactions energy: -90.101
where: short stacking energy: -34.541
Base-Backbone interact. energy: -0.901
local terms energy: -46.139272
where:
bonds (distance) C4'-P energy: -9.400
bonds (distance) P-C4' energy: -10.238
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -7.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -116.832556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.832556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.832556 (E_RNA)
where:
Base-Base interactions energy: -73.239
where: short stacking energy: -36.613
Base-Backbone interact. energy: -0.042
local terms energy: -43.551632
where:
bonds (distance) C4'-P energy: -8.812
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -9.407
flat angles P-C4'-P energy: -2.539
tors. eta vs tors. theta energy: -10.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -87.918941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.918941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.918941 (E_RNA)
where:
Base-Base interactions energy: -46.691
where: short stacking energy: -33.211
Base-Backbone interact. energy: -1.439
local terms energy: -39.789138
where:
bonds (distance) C4'-P energy: -7.793
bonds (distance) P-C4' energy: -11.489
flat angles C4'-P-C4' energy: -10.127
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -3.834
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: 4
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -74.066182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.066182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.066182 (E_RNA)
where:
Base-Base interactions energy: -23.529
where: short stacking energy: -23.529
Base-Backbone interact. energy: -0.185
local terms energy: -50.352848
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -13.351
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -6.088
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: 6, replica: 8
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -69.571590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.571590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.571590 (E_RNA)
where:
Base-Base interactions energy: -25.492
where: short stacking energy: -25.492
Base-Backbone interact. energy: -0.550
local terms energy: -43.529154
where:
bonds (distance) C4'-P energy: -10.112
bonds (distance) P-C4' energy: -9.923
flat angles C4'-P-C4' energy: -9.594
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -7.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -56.516391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.516391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.516391 (E_RNA)
where:
Base-Base interactions energy: -18.844
where: short stacking energy: -17.867
Base-Backbone interact. energy: -0.323
local terms energy: -37.348827
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -10.383
flat angles C4'-P-C4' energy: -10.062
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: 1.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -53.702553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.702553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.702553 (E_RNA)
where:
Base-Base interactions energy: -23.816
where: short stacking energy: -15.734
Base-Backbone interact. energy: -0.128
local terms energy: -29.758105
where:
bonds (distance) C4'-P energy: -8.443
bonds (distance) P-C4' energy: -10.080
flat angles C4'-P-C4' energy: -4.692
flat angles P-C4'-P energy: -5.383
tors. eta vs tors. theta energy: -1.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -52.717125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.717125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.717125 (E_RNA)
where:
Base-Base interactions energy: -16.577
where: short stacking energy: -16.188
Base-Backbone interact. energy: -0.017
local terms energy: -36.122882
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -9.974
flat angles C4'-P-C4' energy: -9.988
flat angles P-C4'-P energy: -3.995
tors. eta vs tors. theta energy: -1.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -59.057694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.057694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.057694 (E_RNA)
where:
Base-Base interactions energy: -17.120
where: short stacking energy: -17.120
Base-Backbone interact. energy: -0.005
local terms energy: -41.933347
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -8.462
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -3.926
tors. eta vs tors. theta energy: -4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -138.872810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.872810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.872810 (E_RNA)
where:
Base-Base interactions energy: -87.689
where: short stacking energy: -31.520
Base-Backbone interact. energy: -0.742
local terms energy: -50.441388
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -10.722
flat angles P-C4'-P energy: -6.177
tors. eta vs tors. theta energy: -9.492
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: 2, replica: 7
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -122.185157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.185157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.185157 (E_RNA)
where:
Base-Base interactions energy: -75.726
where: short stacking energy: -35.924
Base-Backbone interact. energy: -0.299
local terms energy: -46.159575
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -8.540
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -8.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -123.355549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.355549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.355549 (E_RNA)
where:
Base-Base interactions energy: -74.351
where: short stacking energy: -44.838
Base-Backbone interact. energy: -0.000
local terms energy: -49.003871
where:
bonds (distance) C4'-P energy: -7.400
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -10.545
flat angles P-C4'-P energy: -5.409
tors. eta vs tors. theta energy: -14.511
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: 9
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -78.101714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.101714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.101714 (E_RNA)
where:
Base-Base interactions energy: -32.479
where: short stacking energy: -23.389
Base-Backbone interact. energy: -0.607
local terms energy: -45.016169
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -10.055
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -2.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -69.621589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.621589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.621589 (E_RNA)
where:
Base-Base interactions energy: -27.588
where: short stacking energy: -23.317
Base-Backbone interact. energy: -0.099
local terms energy: -41.934890
where:
bonds (distance) C4'-P energy: -7.686
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -10.086
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -4.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -70.367848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.367848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.367848 (E_RNA)
where:
Base-Base interactions energy: -27.830
where: short stacking energy: -27.803
Base-Backbone interact. energy: -0.023
local terms energy: -42.515171
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -9.572
flat angles C4'-P-C4' energy: -6.946
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -5.454
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: 10
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -61.143507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.143507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.143507 (E_RNA)
where:
Base-Base interactions energy: -25.803
where: short stacking energy: -16.761
Base-Backbone interact. energy: -0.290
local terms energy: -35.050411
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -12.090
flat angles C4'-P-C4' energy: -8.804
flat angles P-C4'-P energy: -4.925
tors. eta vs tors. theta energy: 1.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -56.154488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.154488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.154488 (E_RNA)
where:
Base-Base interactions energy: -24.317
where: short stacking energy: -18.644
Base-Backbone interact. energy: -0.062
local terms energy: -31.774921
where:
bonds (distance) C4'-P energy: -5.622
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -10.029
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: 2.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -67.709066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.709066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.709066 (E_RNA)
where:
Base-Base interactions energy: -22.817
where: short stacking energy: -18.878
Base-Backbone interact. energy: -0.024
local terms energy: -44.867737
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -8.148
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -6.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -56.544735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.544735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.544735 (E_RNA)
where:
Base-Base interactions energy: -23.984
where: short stacking energy: -23.356
Base-Backbone interact. energy: -0.017
local terms energy: -32.543235
where:
bonds (distance) C4'-P energy: -7.992
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -7.501
flat angles P-C4'-P energy: -0.946
tors. eta vs tors. theta energy: -3.258
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: 6
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -144.209774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.209774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.209774 (E_RNA)
where:
Base-Base interactions energy: -95.116
where: short stacking energy: -36.050
Base-Backbone interact. energy: -0.175
local terms energy: -48.918982
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -8.785
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -8.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -124.602399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.602399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.602399 (E_RNA)
where:
Base-Base interactions energy: -77.715
where: short stacking energy: -28.560
Base-Backbone interact. energy: -0.530
local terms energy: -46.357607
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -7.154
flat angles P-C4'-P energy: -8.888
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: 3, replica: 5
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -112.545040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.545040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.545040 (E_RNA)
where:
Base-Base interactions energy: -65.258
where: short stacking energy: -40.392
Base-Backbone interact. energy: -0.095
local terms energy: -47.192120
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -4.575
tors. eta vs tors. theta energy: -11.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -79.349230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.349230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.349230 (E_RNA)
where:
Base-Base interactions energy: -37.668
where: short stacking energy: -21.980
Base-Backbone interact. energy: 0.479
local terms energy: -42.160077
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -7.852
flat angles P-C4'-P energy: -3.524
tors. eta vs tors. theta energy: -7.359
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: 5, replica: 9
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -85.537043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.537043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.537043 (E_RNA)
where:
Base-Base interactions energy: -42.819
where: short stacking energy: -36.464
Base-Backbone interact. energy: -0.000
local terms energy: -42.717383
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -10.549
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -1.338
tors. eta vs tors. theta energy: -6.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -72.011886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.011886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.011886 (E_RNA)
where:
Base-Base interactions energy: -32.447
where: short stacking energy: -23.198
Base-Backbone interact. energy: -0.041
local terms energy: -39.524501
where:
bonds (distance) C4'-P energy: -8.545
bonds (distance) P-C4' energy: -10.854
flat angles C4'-P-C4' energy: -9.743
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -3.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -62.186623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.186623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.186623 (E_RNA)
where:
Base-Base interactions energy: -20.961
where: short stacking energy: -20.899
Base-Backbone interact. energy: -0.124
local terms energy: -41.101265
where:
bonds (distance) C4'-P energy: -8.389
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -11.589
flat angles P-C4'-P energy: -4.441
tors. eta vs tors. theta energy: -4.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -57.447165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.447165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.447165 (E_RNA)
where:
Base-Base interactions energy: -19.203
where: short stacking energy: -15.839
Base-Backbone interact. energy: -0.206
local terms energy: -38.037341
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -9.503
flat angles C4'-P-C4' energy: -10.911
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: 0.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -63.820970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.820970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.820970 (E_RNA)
where:
Base-Base interactions energy: -28.592
where: short stacking energy: -28.425
Base-Backbone interact. energy: -0.113
local terms energy: -35.115922
where:
bonds (distance) C4'-P energy: -7.950
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -9.931
flat angles P-C4'-P energy: -1.080
tors. eta vs tors. theta energy: -3.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -56.289798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.289798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.289798 (E_RNA)
where:
Base-Base interactions energy: -19.575
where: short stacking energy: -19.200
Base-Backbone interact. energy: -0.003
local terms energy: -36.711275
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -7.910
flat angles C4'-P-C4' energy: -8.961
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: -2.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -141.056358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.056358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.056358 (E_RNA)
where:
Base-Base interactions energy: -93.852
where: short stacking energy: -42.863
Base-Backbone interact. energy: -0.588
local terms energy: -46.616220
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -11.656
flat angles C4'-P-C4' energy: -8.361
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -10.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -124.022122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.022122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.022122 (E_RNA)
where:
Base-Base interactions energy: -71.455
where: short stacking energy: -34.207
Base-Backbone interact. energy: -0.149
local terms energy: -52.418410
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -10.644
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -11.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -96.804763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.804763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.804763 (E_RNA)
where:
Base-Base interactions energy: -49.272
where: short stacking energy: -21.752
Base-Backbone interact. energy: -0.224
local terms energy: -47.309211
where:
bonds (distance) C4'-P energy: -10.504
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -7.100
flat angles P-C4'-P energy: -6.139
tors. eta vs tors. theta energy: -10.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -70.301233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.301233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.301233 (E_RNA)
where:
Base-Base interactions energy: -32.799
where: short stacking energy: -23.883
Base-Backbone interact. energy: -0.055
local terms energy: -37.446821
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -10.018
flat angles C4'-P-C4' energy: -6.108
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -3.368
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: 9
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -85.340792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.340792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.340792 (E_RNA)
where:
Base-Base interactions energy: -51.184
where: short stacking energy: -28.014
Base-Backbone interact. energy: -0.029
local terms energy: -34.127616
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -10.471
flat angles C4'-P-C4' energy: -3.085
flat angles P-C4'-P energy: -5.565
tors. eta vs tors. theta energy: -3.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -65.346375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.346375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.346375 (E_RNA)
where:
Base-Base interactions energy: -20.251
where: short stacking energy: -18.922
Base-Backbone interact. energy: -0.614
local terms energy: -44.481546
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -9.430
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: -3.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -58.070856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.070856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.070856 (E_RNA)
where:
Base-Base interactions energy: -17.563
where: short stacking energy: -6.455
Base-Backbone interact. energy: -0.894
local terms energy: -39.613402
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -6.578
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: 8, replica: 4
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -62.881334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.881334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.881334 (E_RNA)
where:
Base-Base interactions energy: -21.357
where: short stacking energy: -20.304
Base-Backbone interact. energy: 0.069
local terms energy: -41.592741
where:
bonds (distance) C4'-P energy: -9.701
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -10.038
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: -4.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -55.122976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.122976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.122976 (E_RNA)
where:
Base-Base interactions energy: -17.130
where: short stacking energy: -16.781
Base-Backbone interact. energy: -0.164
local terms energy: -37.829662
where:
bonds (distance) C4'-P energy: -6.754
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -9.051
flat angles P-C4'-P energy: -8.619
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: 3
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -62.719890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.719890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.719890 (E_RNA)
where:
Base-Base interactions energy: -18.044
where: short stacking energy: -18.044
Base-Backbone interact. energy: -0.078
local terms energy: -44.597949
where:
bonds (distance) C4'-P energy: -8.521
bonds (distance) P-C4' energy: -9.824
flat angles C4'-P-C4' energy: -10.300
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -7.178
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: 6
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -130.102730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.102730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.102730 (E_RNA)
where:
Base-Base interactions energy: -84.184
where: short stacking energy: -32.076
Base-Backbone interact. energy: -0.787
local terms energy: -45.132429
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -5.396
flat angles P-C4'-P energy: -7.604
tors. eta vs tors. theta energy: -6.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -117.163777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.163777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.163777 (E_RNA)
where:
Base-Base interactions energy: -75.284
where: short stacking energy: -31.397
Base-Backbone interact. energy: -0.403
local terms energy: -41.476567
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -9.012
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -4.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -113.111125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.111125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.111125 (E_RNA)
where:
Base-Base interactions energy: -71.669
where: short stacking energy: -27.370
Base-Backbone interact. energy: -0.071
local terms energy: -41.371648
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -9.755
flat angles C4'-P-C4' energy: -6.425
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -7.043
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: 9
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -83.980394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.980394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.980394 (E_RNA)
where:
Base-Base interactions energy: -40.801
where: short stacking energy: -33.780
Base-Backbone interact. energy: -0.067
local terms energy: -43.111863
where:
bonds (distance) C4'-P energy: -5.884
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -9.435
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -8.188
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: 317
Temperature: 1.100000
Total energy: -65.755932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.755932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.755932 (E_RNA)
where:
Base-Base interactions energy: -23.412
where: short stacking energy: -20.048
Base-Backbone interact. energy: -0.461
local terms energy: -41.883119
where:
bonds (distance) C4'-P energy: -7.668
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -2.827
tors. eta vs tors. theta energy: -6.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -75.897178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.897178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.897178 (E_RNA)
where:
Base-Base interactions energy: -29.418
where: short stacking energy: -28.479
Base-Backbone interact. energy: -0.074
local terms energy: -46.405048
where:
bonds (distance) C4'-P energy: -9.640
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -8.818
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -8.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -74.188081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.188081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.188081 (E_RNA)
where:
Base-Base interactions energy: -35.959
where: short stacking energy: -17.622
Base-Backbone interact. energy: -0.010
local terms energy: -38.218885
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -9.526
flat angles P-C4'-P energy: -3.843
tors. eta vs tors. theta energy: -3.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -62.088165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.088165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.088165 (E_RNA)
where:
Base-Base interactions energy: -24.524
where: short stacking energy: -20.421
Base-Backbone interact. energy: -0.422
local terms energy: -37.142534
where:
bonds (distance) C4'-P energy: -9.408
bonds (distance) P-C4' energy: -7.746
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -3.638
tors. eta vs tors. theta energy: -6.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -64.021342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.021342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.021342 (E_RNA)
where:
Base-Base interactions energy: -26.652
where: short stacking energy: -10.349
Base-Backbone interact. energy: -0.584
local terms energy: -36.784914
where:
bonds (distance) C4'-P energy: -10.157
bonds (distance) P-C4' energy: -9.197
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: -0.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -56.738379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.738379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.738379 (E_RNA)
where:
Base-Base interactions energy: -26.070
where: short stacking energy: -19.261
Base-Backbone interact. energy: -0.007
local terms energy: -30.661500
where:
bonds (distance) C4'-P energy: -7.064
bonds (distance) P-C4' energy: -6.759
flat angles C4'-P-C4' energy: -4.692
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -4.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -127.701516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.701516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.701516 (E_RNA)
where:
Base-Base interactions energy: -79.841
where: short stacking energy: -33.054
Base-Backbone interact. energy: -0.726
local terms energy: -47.134308
where:
bonds (distance) C4'-P energy: -9.291
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -10.517
flat angles P-C4'-P energy: -6.621
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: 2, replica: 6
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -121.571018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.571018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.571018 (E_RNA)
where:
Base-Base interactions energy: -78.105
where: short stacking energy: -28.867
Base-Backbone interact. energy: -0.759
local terms energy: -42.707814
where:
bonds (distance) C4'-P energy: -6.274
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -11.526
flat angles P-C4'-P energy: -5.953
tors. eta vs tors. theta energy: -7.407
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: 9
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -75.143409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.143409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.143409 (E_RNA)
where:
Base-Base interactions energy: -26.842
where: short stacking energy: -24.061
Base-Backbone interact. energy: -0.017
local terms energy: -48.284040
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -9.649
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -4.201
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: 5
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -106.711552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.711552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.711552 (E_RNA)
where:
Base-Base interactions energy: -62.373
where: short stacking energy: -22.261
Base-Backbone interact. energy: -0.107
local terms energy: -44.231692
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -9.301
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -1.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -81.815759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.815759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.815759 (E_RNA)
where:
Base-Base interactions energy: -44.319
where: short stacking energy: -24.819
Base-Backbone interact. energy: 0.509
local terms energy: -38.006316
where:
bonds (distance) C4'-P energy: -8.589
bonds (distance) P-C4' energy: -10.363
flat angles C4'-P-C4' energy: -8.754
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -2.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -75.215618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.215618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.215618 (E_RNA)
where:
Base-Base interactions energy: -31.194
where: short stacking energy: -27.342
Base-Backbone interact. energy: -0.103
local terms energy: -43.918585
where:
bonds (distance) C4'-P energy: -10.045
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -8.256
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -4.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -76.333622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.333622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.333622 (E_RNA)
where:
Base-Base interactions energy: -41.436
where: short stacking energy: -26.037
Base-Backbone interact. energy: -0.074
local terms energy: -34.823591
where:
bonds (distance) C4'-P energy: -9.584
bonds (distance) P-C4' energy: -7.867
flat angles C4'-P-C4' energy: -10.605
flat angles P-C4'-P energy: -2.618
tors. eta vs tors. theta energy: -4.149
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: 10
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -61.771581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.771581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.771581 (E_RNA)
where:
Base-Base interactions energy: -30.884
where: short stacking energy: -9.285
Base-Backbone interact. energy: -0.938
local terms energy: -29.949552
where:
bonds (distance) C4'-P energy: -9.493
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -5.821
flat angles P-C4'-P energy: -5.534
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: 9, replica: 3
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -55.371871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.371871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.371871 (E_RNA)
where:
Base-Base interactions energy: -15.412
where: short stacking energy: -15.412
Base-Backbone interact. energy: -0.201
local terms energy: -39.759529
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -9.806
flat angles C4'-P-C4' energy: -9.885
flat angles P-C4'-P energy: -4.758
tors. eta vs tors. theta energy: -4.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -68.965511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.965511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.965511 (E_RNA)
where:
Base-Base interactions energy: -26.581
where: short stacking energy: -18.641
Base-Backbone interact. energy: -0.084
local terms energy: -42.299859
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -9.946
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -0.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -128.524569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.524569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.524569 (E_RNA)
where:
Base-Base interactions energy: -85.958
where: short stacking energy: -30.717
Base-Backbone interact. energy: -0.215
local terms energy: -42.352070
where:
bonds (distance) C4'-P energy: -8.936
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -10.259
flat angles P-C4'-P energy: -6.307
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: 2, replica: 6
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -109.755861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.755861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.755861 (E_RNA)
where:
Base-Base interactions energy: -62.446
where: short stacking energy: -26.315
Base-Backbone interact. energy: -0.120
local terms energy: -47.189626
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -9.288
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: -7.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -89.946872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.946872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.946872 (E_RNA)
where:
Base-Base interactions energy: -45.358
where: short stacking energy: -24.987
Base-Backbone interact. energy: -0.146
local terms energy: -44.442812
where:
bonds (distance) C4'-P energy: -8.517
bonds (distance) P-C4' energy: -9.632
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -6.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -66.426047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.426047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.426047 (E_RNA)
where:
Base-Base interactions energy: -26.545
where: short stacking energy: -23.737
Base-Backbone interact. energy: -0.235
local terms energy: -39.645979
where:
bonds (distance) C4'-P energy: -9.532
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -9.142
flat angles P-C4'-P energy: -4.384
tors. eta vs tors. theta energy: -4.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -89.050993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.050993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.050993 (E_RNA)
where:
Base-Base interactions energy: -46.840
where: short stacking energy: -27.368
Base-Backbone interact. energy: -0.137
local terms energy: -42.073837
where:
bonds (distance) C4'-P energy: -6.208
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -4.890
tors. eta vs tors. theta energy: -7.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -58.455853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.455853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.455853 (E_RNA)
where:
Base-Base interactions energy: -21.304
where: short stacking energy: -18.831
Base-Backbone interact. energy: -0.281
local terms energy: -36.870605
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -11.487
flat angles C4'-P-C4' energy: -6.286
flat angles P-C4'-P energy: -4.608
tors. eta vs tors. theta energy: -3.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -63.045911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.045911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.045911 (E_RNA)
where:
Base-Base interactions energy: -25.923
where: short stacking energy: -22.749
Base-Backbone interact. energy: -2.593
local terms energy: -34.530494
where:
bonds (distance) C4'-P energy: -7.577
bonds (distance) P-C4' energy: -10.091
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -4.502
tors. eta vs tors. theta energy: 0.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -60.267026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.267026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.267026 (E_RNA)
where:
Base-Base interactions energy: -28.623
where: short stacking energy: -23.675
Base-Backbone interact. energy: -0.003
local terms energy: -31.640573
where:
bonds (distance) C4'-P energy: -9.375
bonds (distance) P-C4' energy: -9.566
flat angles C4'-P-C4' energy: -6.746
flat angles P-C4'-P energy: -3.658
tors. eta vs tors. theta energy: -2.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -54.354559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.354559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.354559 (E_RNA)
where:
Base-Base interactions energy: -25.165
where: short stacking energy: -11.305
Base-Backbone interact. energy: -0.209
local terms energy: -28.980242
where:
bonds (distance) C4'-P energy: -7.826
bonds (distance) P-C4' energy: -9.470
flat angles C4'-P-C4' energy: -5.994
flat angles P-C4'-P energy: -4.866
tors. eta vs tors. theta energy: -0.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -60.147590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.147590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.147590 (E_RNA)
where:
Base-Base interactions energy: -22.795
where: short stacking energy: -7.866
Base-Backbone interact. energy: -0.100
local terms energy: -37.251960
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -9.275
flat angles C4'-P-C4' energy: -10.796
flat angles P-C4'-P energy: -5.712
tors. eta vs tors. theta energy: -0.166
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: 7
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -137.064533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.064533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.064533 (E_RNA)
where:
Base-Base interactions energy: -92.687
where: short stacking energy: -24.039
Base-Backbone interact. energy: -1.833
local terms energy: -42.544596
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -9.343
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -3.495
tors. eta vs tors. theta energy: -5.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -111.125932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.125932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.125932 (E_RNA)
where:
Base-Base interactions energy: -64.927
where: short stacking energy: -29.518
Base-Backbone interact. energy: -0.094
local terms energy: -46.104319
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -10.763
flat angles C4'-P-C4' energy: -10.970
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -3.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -85.455712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.455712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.455712 (E_RNA)
where:
Base-Base interactions energy: -38.623
where: short stacking energy: -35.601
Base-Backbone interact. energy: 0.131
local terms energy: -46.964664
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -7.657
flat angles C4'-P-C4' energy: -10.627
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -7.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -84.392358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.392358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.392358 (E_RNA)
where:
Base-Base interactions energy: -43.304
where: short stacking energy: -25.512
Base-Backbone interact. energy: -0.183
local terms energy: -40.905003
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -9.817
flat angles P-C4'-P energy: -4.482
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: 5, replica: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -63.431956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.431956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.431956 (E_RNA)
where:
Base-Base interactions energy: -19.208
where: short stacking energy: -17.228
Base-Backbone interact. energy: -0.228
local terms energy: -43.996009
where:
bonds (distance) C4'-P energy: -8.803
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -9.042
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -4.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -73.180801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.180801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.180801 (E_RNA)
where:
Base-Base interactions energy: -30.294
where: short stacking energy: -26.411
Base-Backbone interact. energy: -0.018
local terms energy: -42.869074
where:
bonds (distance) C4'-P energy: -5.430
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -8.216
flat angles P-C4'-P energy: -9.357
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: 320
Temperature: 1.200000
Total energy: -59.997525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.997525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.997525 (E_RNA)
where:
Base-Base interactions energy: -24.077
where: short stacking energy: -21.770
Base-Backbone interact. energy: 0.029
local terms energy: -35.949167
where:
bonds (distance) C4'-P energy: -9.982
bonds (distance) P-C4' energy: -8.243
flat angles C4'-P-C4' energy: -7.417
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -4.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -62.354126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.354126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.354126 (E_RNA)
where:
Base-Base interactions energy: -27.713
where: short stacking energy: -27.713
Base-Backbone interact. energy: -0.125
local terms energy: -34.516062
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -11.187
flat angles C4'-P-C4' energy: -3.477
flat angles P-C4'-P energy: -6.325
tors. eta vs tors. theta energy: -2.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -54.126649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.126649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.126649 (E_RNA)
where:
Base-Base interactions energy: -14.496
where: short stacking energy: -14.496
Base-Backbone interact. energy: -0.129
local terms energy: -39.501406
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -8.843
flat angles C4'-P-C4' energy: -8.948
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -1.467
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: 10
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -57.353325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.353325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.353325 (E_RNA)
where:
Base-Base interactions energy: -20.829
where: short stacking energy: -18.133
Base-Backbone interact. energy: -0.052
local terms energy: -36.472799
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -10.183
flat angles C4'-P-C4' energy: -7.448
flat angles P-C4'-P energy: -3.544
tors. eta vs tors. theta energy: -3.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -133.291139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.291139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.291139 (E_RNA)
where:
Base-Base interactions energy: -84.939
where: short stacking energy: -29.307
Base-Backbone interact. energy: -1.106
local terms energy: -47.246226
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -5.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -118.010431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.010431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.010431 (E_RNA)
where:
Base-Base interactions energy: -72.035
where: short stacking energy: -39.883
Base-Backbone interact. energy: -0.114
local terms energy: -45.861167
where:
bonds (distance) C4'-P energy: -9.084
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -4.944
tors. eta vs tors. theta energy: -10.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -84.508994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.508994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.508994 (E_RNA)
where:
Base-Base interactions energy: -36.085
where: short stacking energy: -36.085
Base-Backbone interact. energy: -0.000
local terms energy: -48.424256
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -10.170
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -5.229
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: 4, replica: 4
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -68.095810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.095810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.095810 (E_RNA)
where:
Base-Base interactions energy: -19.366
where: short stacking energy: -13.704
Base-Backbone interact. energy: -0.165
local terms energy: -48.565046
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -10.392
flat angles P-C4'-P energy: -10.092
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: 5, replica: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -71.858063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.858063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.858063 (E_RNA)
where:
Base-Base interactions energy: -31.905
where: short stacking energy: -26.428
Base-Backbone interact. energy: -0.000
local terms energy: -39.952819
where:
bonds (distance) C4'-P energy: -9.078
bonds (distance) P-C4' energy: -10.152
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -2.792
tors. eta vs tors. theta energy: -5.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -71.773401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.773401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.773401 (E_RNA)
where:
Base-Base interactions energy: -27.009
where: short stacking energy: -25.217
Base-Backbone interact. energy: -0.499
local terms energy: -44.265415
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -6.814
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -6.142
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: 5
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -69.025192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.025192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.025192 (E_RNA)
where:
Base-Base interactions energy: -30.820
where: short stacking energy: -22.234
Base-Backbone interact. energy: -0.187
local terms energy: -38.018323
where:
bonds (distance) C4'-P energy: -7.928
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -9.420
flat angles P-C4'-P energy: -6.331
tors. eta vs tors. theta energy: -2.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -56.061314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.061314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.061314 (E_RNA)
where:
Base-Base interactions energy: -14.433
where: short stacking energy: -13.201
Base-Backbone interact. energy: -0.023
local terms energy: -41.605334
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -10.784
flat angles C4'-P-C4' energy: -9.365
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -1.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -61.973160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.973160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.973160 (E_RNA)
where:
Base-Base interactions energy: -22.380
where: short stacking energy: -20.659
Base-Backbone interact. energy: 0.594
local terms energy: -40.186427
where:
bonds (distance) C4'-P energy: -11.410
bonds (distance) P-C4' energy: -12.054
flat angles C4'-P-C4' energy: -9.938
flat angles P-C4'-P energy: -1.232
tors. eta vs tors. theta energy: -5.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -69.983317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.983317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.983317 (E_RNA)
where:
Base-Base interactions energy: -27.904
where: short stacking energy: -22.992
Base-Backbone interact. energy: -0.023
local terms energy: -42.056339
where:
bonds (distance) C4'-P energy: -8.662
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -8.129
flat angles P-C4'-P energy: -5.196
tors. eta vs tors. theta energy: -8.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -121.805269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.805269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.805269 (E_RNA)
where:
Base-Base interactions energy: -71.401
where: short stacking energy: -33.231
Base-Backbone interact. energy: -0.957
local terms energy: -49.447481
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -11.987
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -7.619
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: 7
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -132.956268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.956268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.956268 (E_RNA)
where:
Base-Base interactions energy: -86.159
where: short stacking energy: -31.554
Base-Backbone interact. energy: -0.838
local terms energy: -45.958940
where:
bonds (distance) C4'-P energy: -11.770
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -3.120
tors. eta vs tors. theta energy: -5.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -75.606347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.606347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.606347 (E_RNA)
where:
Base-Base interactions energy: -26.095
where: short stacking energy: -24.869
Base-Backbone interact. energy: -0.077
local terms energy: -49.433823
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -10.608
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -7.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -74.874179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.874179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.874179 (E_RNA)
where:
Base-Base interactions energy: -32.077
where: short stacking energy: -12.111
Base-Backbone interact. energy: -0.116
local terms energy: -42.680717
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -9.469
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -7.977
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: 5, replica: 3
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -68.190879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.190879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.190879 (E_RNA)
where:
Base-Base interactions energy: -29.015
where: short stacking energy: -15.772
Base-Backbone interact. energy: -0.156
local terms energy: -39.019558
where:
bonds (distance) C4'-P energy: -10.683
bonds (distance) P-C4' energy: -9.969
flat angles C4'-P-C4' energy: -10.168
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -0.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -70.275762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.275762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.275762 (E_RNA)
where:
Base-Base interactions energy: -30.518
where: short stacking energy: -25.350
Base-Backbone interact. energy: -0.112
local terms energy: -39.646243
where:
bonds (distance) C4'-P energy: -10.860
bonds (distance) P-C4' energy: -9.897
flat angles C4'-P-C4' energy: -8.508
flat angles P-C4'-P energy: -5.378
tors. eta vs tors. theta energy: -5.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -69.050202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.050202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.050202 (E_RNA)
where:
Base-Base interactions energy: -34.399
where: short stacking energy: -27.883
Base-Backbone interact. energy: -0.016
local terms energy: -34.635452
where:
bonds (distance) C4'-P energy: -6.029
bonds (distance) P-C4' energy: -10.958
flat angles C4'-P-C4' energy: -9.323
flat angles P-C4'-P energy: -4.670
tors. eta vs tors. theta energy: -3.656
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: 8, replica: 5
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -72.798160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.798160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.798160 (E_RNA)
where:
Base-Base interactions energy: -27.080
where: short stacking energy: -27.080
Base-Backbone interact. energy: -0.006
local terms energy: -45.712148
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -4.902
tors. eta vs tors. theta energy: -7.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -74.596946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.596946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.596946 (E_RNA)
where:
Base-Base interactions energy: -41.021
where: short stacking energy: -21.959
Base-Backbone interact. energy: -0.073
local terms energy: -33.502684
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -9.678
flat angles C4'-P-C4' energy: -9.398
flat angles P-C4'-P energy: -1.408
tors. eta vs tors. theta energy: -2.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -60.112799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.112799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.112799 (E_RNA)
where:
Base-Base interactions energy: -21.585
where: short stacking energy: -18.248
Base-Backbone interact. energy: -0.066
local terms energy: -38.461912
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -10.122
flat angles C4'-P-C4' energy: -8.991
flat angles P-C4'-P energy: -6.089
tors. eta vs tors. theta energy: -2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -119.401690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.401690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.401690 (E_RNA)
where:
Base-Base interactions energy: -68.948
where: short stacking energy: -33.353
Base-Backbone interact. energy: -0.147
local terms energy: -50.306662
where:
bonds (distance) C4'-P energy: -9.452
bonds (distance) P-C4' energy: -10.837
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -9.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -127.578177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.578177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.578177 (E_RNA)
where:
Base-Base interactions energy: -79.268
where: short stacking energy: -34.207
Base-Backbone interact. energy: -0.302
local terms energy: -48.008223
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -8.688
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -8.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -87.678538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.678538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.678538 (E_RNA)
where:
Base-Base interactions energy: -40.214
where: short stacking energy: -35.026
Base-Backbone interact. energy: -0.078
local terms energy: -47.386649
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -11.048
flat angles C4'-P-C4' energy: -9.989
flat angles P-C4'-P energy: -5.982
tors. eta vs tors. theta energy: -9.434
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: 3
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -83.401708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.401708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.401708 (E_RNA)
where:
Base-Base interactions energy: -34.763
where: short stacking energy: -24.583
Base-Backbone interact. energy: -0.715
local terms energy: -47.923879
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -9.753
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -3.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -74.381777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.381777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.381777 (E_RNA)
where:
Base-Base interactions energy: -30.350
where: short stacking energy: -24.652
Base-Backbone interact. energy: -0.888
local terms energy: -43.144611
where:
bonds (distance) C4'-P energy: -8.861
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -5.103
tors. eta vs tors. theta energy: -5.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -82.831791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.831791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.831791 (E_RNA)
where:
Base-Base interactions energy: -31.777
where: short stacking energy: -24.715
Base-Backbone interact. energy: -0.256
local terms energy: -50.798507
where:
bonds (distance) C4'-P energy: -9.218
bonds (distance) P-C4' energy: -10.872
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -9.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -71.773882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.773882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.773882 (E_RNA)
where:
Base-Base interactions energy: -29.118
where: short stacking energy: -25.744
Base-Backbone interact. energy: -0.140
local terms energy: -42.516487
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -9.869
flat angles C4'-P-C4' energy: -9.593
flat angles P-C4'-P energy: -2.961
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: 8, replica: 10
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -58.816363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.816363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.816363 (E_RNA)
where:
Base-Base interactions energy: -30.541
where: short stacking energy: -21.679
Base-Backbone interact. energy: -0.097
local terms energy: -28.178182
where:
bonds (distance) C4'-P energy: -5.922
bonds (distance) P-C4' energy: -8.592
flat angles C4'-P-C4' energy: -4.984
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -2.669
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: 5
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -67.542570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.542570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.542570 (E_RNA)
where:
Base-Base interactions energy: -27.553
where: short stacking energy: -27.553
Base-Backbone interact. energy: -0.089
local terms energy: -39.899800
where:
bonds (distance) C4'-P energy: -9.093
bonds (distance) P-C4' energy: -10.575
flat angles C4'-P-C4' energy: -9.520
flat angles P-C4'-P energy: -4.186
tors. eta vs tors. theta energy: -6.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -61.000558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.000558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.000558 (E_RNA)
where:
Base-Base interactions energy: -27.503
where: short stacking energy: -19.536
Base-Backbone interact. energy: -0.344
local terms energy: -33.153623
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -4.997
flat angles P-C4'-P energy: -3.272
tors. eta vs tors. theta energy: -1.697
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: 7
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -130.369869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.369869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.369869 (E_RNA)
where:
Base-Base interactions energy: -77.856
where: short stacking energy: -29.711
Base-Backbone interact. energy: 0.312
local terms energy: -52.825892
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -7.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -121.740394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.740394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.740394 (E_RNA)
where:
Base-Base interactions energy: -76.826
where: short stacking energy: -36.486
Base-Backbone interact. energy: -0.004
local terms energy: -44.910720
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -9.317
flat angles P-C4'-P energy: -1.766
tors. eta vs tors. theta energy: -11.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -82.178304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.178304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.178304 (E_RNA)
where:
Base-Base interactions energy: -32.467
where: short stacking energy: -30.093
Base-Backbone interact. energy: -0.039
local terms energy: -49.672293
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -10.310
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -9.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -99.729077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.729077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.729077 (E_RNA)
where:
Base-Base interactions energy: -58.617
where: short stacking energy: -23.799
Base-Backbone interact. energy: -0.062
local terms energy: -41.049672
where:
bonds (distance) C4'-P energy: -4.572
bonds (distance) P-C4' energy: -10.393
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -6.479
tors. eta vs tors. theta energy: -7.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -81.775862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.775862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.775862 (E_RNA)
where:
Base-Base interactions energy: -36.084
where: short stacking energy: -23.428
Base-Backbone interact. energy: -0.144
local terms energy: -45.546939
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -4.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -69.353487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.353487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.353487 (E_RNA)
where:
Base-Base interactions energy: -23.545
where: short stacking energy: -23.545
Base-Backbone interact. energy: -1.182
local terms energy: -44.625797
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -9.784
flat angles C4'-P-C4' energy: -6.944
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -8.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -62.521287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.521287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.521287 (E_RNA)
where:
Base-Base interactions energy: -26.239
where: short stacking energy: -21.882
Base-Backbone interact. energy: -0.229
local terms energy: -36.052882
where:
bonds (distance) C4'-P energy: -9.114
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -8.902
flat angles P-C4'-P energy: -2.979
tors. eta vs tors. theta energy: -3.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -58.178814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.178814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.178814 (E_RNA)
where:
Base-Base interactions energy: -17.353
where: short stacking energy: -11.092
Base-Backbone interact. energy: 0.078
local terms energy: -40.904375
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -9.345
flat angles C4'-P-C4' energy: -9.474
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -2.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -67.771364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.771364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.771364 (E_RNA)
where:
Base-Base interactions energy: -28.921
where: short stacking energy: -20.016
Base-Backbone interact. energy: 0.180
local terms energy: -39.030494
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -11.499
flat angles C4'-P-C4' energy: -9.678
flat angles P-C4'-P energy: -6.396
tors. eta vs tors. theta energy: -2.328
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: 10, replica: 1
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -60.030025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.030025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.030025 (E_RNA)
where:
Base-Base interactions energy: -26.322
where: short stacking energy: -24.219
Base-Backbone interact. energy: -0.035
local terms energy: -33.672912
where:
bonds (distance) C4'-P energy: -7.342
bonds (distance) P-C4' energy: -6.159
flat angles C4'-P-C4' energy: -8.606
flat angles P-C4'-P energy: -6.187
tors. eta vs tors. theta energy: -5.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -135.343125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.343125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.343125 (E_RNA)
where:
Base-Base interactions energy: -84.645
where: short stacking energy: -34.057
Base-Backbone interact. energy: -0.217
local terms energy: -50.481846
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -8.535
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -7.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -102.494449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.494449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.494449 (E_RNA)
where:
Base-Base interactions energy: -54.304
where: short stacking energy: -34.315
Base-Backbone interact. energy: -0.004
local terms energy: -48.185901
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -10.848
flat angles C4'-P-C4' energy: -9.801
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -8.281
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: 3
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -82.360264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.360264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.360264 (E_RNA)
where:
Base-Base interactions energy: -42.407
where: short stacking energy: -27.897
Base-Backbone interact. energy: -0.004
local terms energy: -39.949106
where:
bonds (distance) C4'-P energy: -7.172
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -9.576
flat angles P-C4'-P energy: -4.259
tors. eta vs tors. theta energy: -6.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -77.321348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.321348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.321348 (E_RNA)
where:
Base-Base interactions energy: -32.373
where: short stacking energy: -32.373
Base-Backbone interact. energy: -0.001
local terms energy: -44.947116
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -7.284
flat angles C4'-P-C4' energy: -8.111
flat angles P-C4'-P energy: -5.726
tors. eta vs tors. theta energy: -12.695
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: 5, replica: 8
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -98.149251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.149251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.149251 (E_RNA)
where:
Base-Base interactions energy: -50.377
where: short stacking energy: -27.197
Base-Backbone interact. energy: -0.037
local terms energy: -47.735628
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -10.493
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -3.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -65.458672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.458672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.458672 (E_RNA)
where:
Base-Base interactions energy: -21.723
where: short stacking energy: -21.723
Base-Backbone interact. energy: -0.055
local terms energy: -43.680099
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -8.465
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -3.956
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: 4
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -60.858019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.858019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.858019 (E_RNA)
where:
Base-Base interactions energy: -26.952
where: short stacking energy: -25.041
Base-Backbone interact. energy: -0.005
local terms energy: -33.901377
where:
bonds (distance) C4'-P energy: -5.648
bonds (distance) P-C4' energy: -4.366
flat angles C4'-P-C4' energy: -8.148
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -6.989
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: 8, replica: 5
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -69.534967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.534967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.534967 (E_RNA)
where:
Base-Base interactions energy: -29.103
where: short stacking energy: -24.049
Base-Backbone interact. energy: 0.857
local terms energy: -41.289229
where:
bonds (distance) C4'-P energy: -7.959
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -7.122
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -6.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -57.132379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.132379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.132379 (E_RNA)
where:
Base-Base interactions energy: -15.109
where: short stacking energy: -10.401
Base-Backbone interact. energy: -0.214
local terms energy: -41.808604
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -9.157
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: 0.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -52.180661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.180661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.180661 (E_RNA)
where:
Base-Base interactions energy: -22.545
where: short stacking energy: -13.227
Base-Backbone interact. energy: 1.366
local terms energy: -31.000936
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -6.812
flat angles C4'-P-C4' energy: -5.758
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -0.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -134.281086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.281086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.281086 (E_RNA)
where:
Base-Base interactions energy: -86.546
where: short stacking energy: -39.747
Base-Backbone interact. energy: 2.092
local terms energy: -49.826926
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -9.447
flat angles C4'-P-C4' energy: -10.296
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -8.788
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: 2, replica: 6
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -110.597492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.597492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.597492 (E_RNA)
where:
Base-Base interactions energy: -64.393
where: short stacking energy: -35.399
Base-Backbone interact. energy: -0.002
local terms energy: -46.202938
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -11.004
flat angles C4'-P-C4' energy: -10.443
flat angles P-C4'-P energy: -5.607
tors. eta vs tors. theta energy: -8.852
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: 3
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -90.714051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.714051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.714051 (E_RNA)
where:
Base-Base interactions energy: -45.588
where: short stacking energy: -20.592
Base-Backbone interact. energy: -0.022
local terms energy: -45.103343
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -10.114
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -5.364
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: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -80.271234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.271234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.271234 (E_RNA)
where:
Base-Base interactions energy: -28.781
where: short stacking energy: -28.781
Base-Backbone interact. energy: -0.026
local terms energy: -51.464070
where:
bonds (distance) C4'-P energy: -10.007
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -9.359
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -11.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -94.867178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.867178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.867178 (E_RNA)
where:
Base-Base interactions energy: -46.170
where: short stacking energy: -25.653
Base-Backbone interact. energy: -0.672
local terms energy: -48.025072
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -10.715
flat angles C4'-P-C4' energy: -10.609
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -6.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -60.542186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.542186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.542186 (E_RNA)
where:
Base-Base interactions energy: -29.524
where: short stacking energy: -21.595
Base-Backbone interact. energy: 0.932
local terms energy: -31.950823
where:
bonds (distance) C4'-P energy: -9.954
bonds (distance) P-C4' energy: -7.027
flat angles C4'-P-C4' energy: -4.194
flat angles P-C4'-P energy: -5.470
tors. eta vs tors. theta energy: -5.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -52.445481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.445481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.445481 (E_RNA)
where:
Base-Base interactions energy: -16.248
where: short stacking energy: -11.634
Base-Backbone interact. energy: -0.184
local terms energy: -36.014186
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -7.727
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: 3.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -57.469387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.469387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.469387 (E_RNA)
where:
Base-Base interactions energy: -25.555
where: short stacking energy: -10.632
Base-Backbone interact. energy: -0.828
local terms energy: -31.086135
where:
bonds (distance) C4'-P energy: -9.104
bonds (distance) P-C4' energy: -9.762
flat angles C4'-P-C4' energy: -9.419
flat angles P-C4'-P energy: -5.854
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: 1
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -64.390256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.390256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.390256 (E_RNA)
where:
Base-Base interactions energy: -25.882
where: short stacking energy: -17.693
Base-Backbone interact. energy: -0.033
local terms energy: -38.475485
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -7.533
flat angles P-C4'-P energy: -3.683
tors. eta vs tors. theta energy: -3.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -52.131552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.131552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.131552 (E_RNA)
where:
Base-Base interactions energy: -17.090
where: short stacking energy: -17.090
Base-Backbone interact. energy: 0.003
local terms energy: -35.044132
where:
bonds (distance) C4'-P energy: -8.050
bonds (distance) P-C4' energy: -10.443
flat angles C4'-P-C4' energy: -9.232
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: 0.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -132.183806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.183806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.183806 (E_RNA)
where:
Base-Base interactions energy: -80.553
where: short stacking energy: -34.637
Base-Backbone interact. energy: -0.000
local terms energy: -51.630785
where:
bonds (distance) C4'-P energy: -8.699
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -8.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -116.380147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.380147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.380147 (E_RNA)
where:
Base-Base interactions energy: -66.142
where: short stacking energy: -35.695
Base-Backbone interact. energy: -0.152
local terms energy: -50.085814
where:
bonds (distance) C4'-P energy: -6.811
bonds (distance) P-C4' energy: -11.522
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -13.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -87.343191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.343191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.343191 (E_RNA)
where:
Base-Base interactions energy: -39.397
where: short stacking energy: -30.912
Base-Backbone interact. energy: -0.101
local terms energy: -47.845452
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -11.051
flat angles C4'-P-C4' energy: -7.599
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -9.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -102.945395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.945395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.945395 (E_RNA)
where:
Base-Base interactions energy: -49.045
where: short stacking energy: -32.796
Base-Backbone interact. energy: -0.037
local terms energy: -53.863861
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -4.976
tors. eta vs tors. theta energy: -13.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -71.458575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.458575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.458575 (E_RNA)
where:
Base-Base interactions energy: -24.840
where: short stacking energy: -24.015
Base-Backbone interact. energy: -0.112
local terms energy: -46.505784
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -10.512
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -4.475
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: 5
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -70.440221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.440221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.440221 (E_RNA)
where:
Base-Base interactions energy: -39.669
where: short stacking energy: -7.550
Base-Backbone interact. energy: -0.106
local terms energy: -30.665288
where:
bonds (distance) C4'-P energy: -7.707
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -8.238
flat angles P-C4'-P energy: -4.403
tors. eta vs tors. theta energy: 3.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -62.781909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.781909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.781909 (E_RNA)
where:
Base-Base interactions energy: -25.372
where: short stacking energy: -22.153
Base-Backbone interact. energy: -0.000
local terms energy: -37.409388
where:
bonds (distance) C4'-P energy: -9.122
bonds (distance) P-C4' energy: -11.814
flat angles C4'-P-C4' energy: -10.413
flat angles P-C4'-P energy: -3.157
tors. eta vs tors. theta energy: -2.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -52.011313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.011313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.011313 (E_RNA)
where:
Base-Base interactions energy: -25.472
where: short stacking energy: -12.995
Base-Backbone interact. energy: -0.221
local terms energy: -26.317956
where:
bonds (distance) C4'-P energy: -6.708
bonds (distance) P-C4' energy: -11.447
flat angles C4'-P-C4' energy: -6.884
flat angles P-C4'-P energy: -2.538
tors. eta vs tors. theta energy: 1.259
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: 9, replica: 4
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -56.527700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.527700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.527700 (E_RNA)
where:
Base-Base interactions energy: -20.766
where: short stacking energy: -12.735
Base-Backbone interact. energy: -0.925
local terms energy: -34.835948
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -7.122
flat angles P-C4'-P energy: -5.855
tors. eta vs tors. theta energy: 1.313
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: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -59.310641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.310641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.310641 (E_RNA)
where:
Base-Base interactions energy: -25.778
where: short stacking energy: -17.353
Base-Backbone interact. energy: -0.017
local terms energy: -33.516451
where:
bonds (distance) C4'-P energy: -10.365
bonds (distance) P-C4' energy: -11.515
flat angles C4'-P-C4' energy: -6.055
flat angles P-C4'-P energy: -4.745
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: 1, replica: 7
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -126.925954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.925954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.925954 (E_RNA)
where:
Base-Base interactions energy: -81.182
where: short stacking energy: -34.469
Base-Backbone interact. energy: -1.292
local terms energy: -44.452107
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -8.243
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -5.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -109.896015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.896015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.896015 (E_RNA)
where:
Base-Base interactions energy: -62.774
where: short stacking energy: -33.754
Base-Backbone interact. energy: -0.059
local terms energy: -47.062874
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -8.110
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -8.112
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: 8
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -94.928355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.928355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.928355 (E_RNA)
where:
Base-Base interactions energy: -50.581
where: short stacking energy: -35.404
Base-Backbone interact. energy: -0.063
local terms energy: -44.284081
where:
bonds (distance) C4'-P energy: -7.362
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -10.750
flat angles P-C4'-P energy: -6.835
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: 4, replica: 6
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -78.813836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.813836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.813836 (E_RNA)
where:
Base-Base interactions energy: -39.746
where: short stacking energy: -27.143
Base-Backbone interact. energy: -0.093
local terms energy: -38.975260
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -9.468
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -4.015
tors. eta vs tors. theta energy: -4.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -76.316617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.316617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.316617 (E_RNA)
where:
Base-Base interactions energy: -29.154
where: short stacking energy: -29.154
Base-Backbone interact. energy: -0.009
local terms energy: -47.153365
where:
bonds (distance) C4'-P energy: -8.724
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -6.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -71.484364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.484364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.484364 (E_RNA)
where:
Base-Base interactions energy: -38.058
where: short stacking energy: -18.287
Base-Backbone interact. energy: -0.670
local terms energy: -32.755939
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -4.403
flat angles P-C4'-P energy: -5.836
tors. eta vs tors. theta energy: 0.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -75.229056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.229056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.229056 (E_RNA)
where:
Base-Base interactions energy: -32.389
where: short stacking energy: -23.677
Base-Backbone interact. energy: 1.254
local terms energy: -44.094090
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -12.026
flat angles C4'-P-C4' energy: -9.926
flat angles P-C4'-P energy: -4.768
tors. eta vs tors. theta energy: -6.502
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: 8, replica: 9
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -61.124640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.124640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.124640 (E_RNA)
where:
Base-Base interactions energy: -17.377
where: short stacking energy: -12.418
Base-Backbone interact. energy: -0.743
local terms energy: -43.005213
where:
bonds (distance) C4'-P energy: -7.152
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: -5.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -62.550176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.550176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.550176 (E_RNA)
where:
Base-Base interactions energy: -23.628
where: short stacking energy: -19.462
Base-Backbone interact. energy: -0.099
local terms energy: -38.823592
where:
bonds (distance) C4'-P energy: -9.254
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -11.118
flat angles P-C4'-P energy: -3.936
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: 10, replica: 4
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -53.913778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.913778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.913778 (E_RNA)
where:
Base-Base interactions energy: -18.295
where: short stacking energy: -16.961
Base-Backbone interact. energy: -0.123
local terms energy: -35.495882
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -12.216
flat angles C4'-P-C4' energy: -11.436
flat angles P-C4'-P energy: -0.532
tors. eta vs tors. theta energy: -0.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -134.308729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.308729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.308729 (E_RNA)
where:
Base-Base interactions energy: -89.028
where: short stacking energy: -32.513
Base-Backbone interact. energy: -0.403
local terms energy: -44.878374
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -11.122
flat angles C4'-P-C4' energy: -9.406
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -4.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -107.010886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.010886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.010886 (E_RNA)
where:
Base-Base interactions energy: -62.224
where: short stacking energy: -26.153
Base-Backbone interact. energy: -0.523
local terms energy: -44.263515
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -10.214
flat angles C4'-P-C4' energy: -11.714
flat angles P-C4'-P energy: -8.196
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: 3, replica: 3
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -113.014287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.014287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.014287 (E_RNA)
where:
Base-Base interactions energy: -68.248
where: short stacking energy: -28.937
Base-Backbone interact. energy: -0.007
local terms energy: -44.759293
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -11.199
flat angles C4'-P-C4' energy: -10.025
flat angles P-C4'-P energy: -5.636
tors. eta vs tors. theta energy: -6.841
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: 5
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -75.961298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.961298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.961298 (E_RNA)
where:
Base-Base interactions energy: -30.706
where: short stacking energy: -22.599
Base-Backbone interact. energy: -0.033
local terms energy: -45.222057
where:
bonds (distance) C4'-P energy: -8.819
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -5.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -84.378890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.378890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.378890 (E_RNA)
where:
Base-Base interactions energy: -44.111
where: short stacking energy: -17.463
Base-Backbone interact. energy: -0.190
local terms energy: -40.078348
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -10.585
flat angles P-C4'-P energy: -2.608
tors. eta vs tors. theta energy: -2.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -66.731846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.731846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.731846 (E_RNA)
where:
Base-Base interactions energy: -31.366
where: short stacking energy: -27.149
Base-Backbone interact. energy: -0.618
local terms energy: -34.748109
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -9.294
flat angles C4'-P-C4' energy: -10.785
flat angles P-C4'-P energy: -2.108
tors. eta vs tors. theta energy: -2.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -60.736307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.736307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.736307 (E_RNA)
where:
Base-Base interactions energy: -21.529
where: short stacking energy: -17.382
Base-Backbone interact. energy: -0.425
local terms energy: -38.782631
where:
bonds (distance) C4'-P energy: -9.002
bonds (distance) P-C4' energy: -9.932
flat angles C4'-P-C4' energy: -10.010
flat angles P-C4'-P energy: -7.623
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: 8, replica: 10
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -69.056560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.056560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.056560 (E_RNA)
where:
Base-Base interactions energy: -33.459
where: short stacking energy: -24.061
Base-Backbone interact. energy: -0.084
local terms energy: -35.513560
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -10.864
flat angles C4'-P-C4' energy: -7.896
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: 3.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -65.358317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.358317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.358317 (E_RNA)
where:
Base-Base interactions energy: -29.524
where: short stacking energy: -14.472
Base-Backbone interact. energy: -0.076
local terms energy: -35.757990
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -11.275
flat angles C4'-P-C4' energy: -9.159
flat angles P-C4'-P energy: -3.982
tors. eta vs tors. theta energy: 0.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -62.197088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.197088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.197088 (E_RNA)
where:
Base-Base interactions energy: -26.357
where: short stacking energy: -21.427
Base-Backbone interact. energy: -0.872
local terms energy: -34.968432
where:
bonds (distance) C4'-P energy: -8.074
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -8.972
flat angles P-C4'-P energy: -5.225
tors. eta vs tors. theta energy: -2.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -132.010239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.010239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.010239 (E_RNA)
where:
Base-Base interactions energy: -84.840
where: short stacking energy: -31.046
Base-Backbone interact. energy: -0.631
local terms energy: -46.538856
where:
bonds (distance) C4'-P energy: -9.275
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -8.469
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -7.411
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: 8
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -113.929323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.929323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.929323 (E_RNA)
where:
Base-Base interactions energy: -63.524
where: short stacking energy: -27.585
Base-Backbone interact. energy: -0.252
local terms energy: -50.153378
where:
bonds (distance) C4'-P energy: -10.419
bonds (distance) P-C4' energy: -10.002
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -9.181
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: 3
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -135.681348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.681348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.681348 (E_RNA)
where:
Base-Base interactions energy: -93.112
where: short stacking energy: -28.623
Base-Backbone interact. energy: -0.540
local terms energy: -42.028595
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -8.502
flat angles C4'-P-C4' energy: -10.844
flat angles P-C4'-P energy: -3.352
tors. eta vs tors. theta energy: -8.024
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: 5
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -74.862174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.862174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.862174 (E_RNA)
where:
Base-Base interactions energy: -31.453
where: short stacking energy: -29.208
Base-Backbone interact. energy: -0.093
local terms energy: -43.316750
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -8.486
flat angles P-C4'-P energy: -3.429
tors. eta vs tors. theta energy: -8.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -78.946304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.946304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.946304 (E_RNA)
where:
Base-Base interactions energy: -35.506
where: short stacking energy: -27.286
Base-Backbone interact. energy: -0.593
local terms energy: -42.847932
where:
bonds (distance) C4'-P energy: -8.445
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -10.090
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -8.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -80.482181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.482181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.482181 (E_RNA)
where:
Base-Base interactions energy: -36.504
where: short stacking energy: -23.320
Base-Backbone interact. energy: -0.351
local terms energy: -43.626892
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -9.109
flat angles C4'-P-C4' energy: -7.451
flat angles P-C4'-P energy: -9.040
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: 10
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -63.813905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.813905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.813905 (E_RNA)
where:
Base-Base interactions energy: -23.831
where: short stacking energy: -23.831
Base-Backbone interact. energy: -0.019
local terms energy: -39.963789
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -10.760
flat angles C4'-P-C4' energy: -8.884
flat angles P-C4'-P energy: -1.589
tors. eta vs tors. theta energy: -7.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -56.489248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.489248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.489248 (E_RNA)
where:
Base-Base interactions energy: -20.697
where: short stacking energy: -11.926
Base-Backbone interact. energy: -0.052
local terms energy: -35.739830
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -10.387
flat angles C4'-P-C4' energy: -8.796
flat angles P-C4'-P energy: -2.970
tors. eta vs tors. theta energy: -0.826
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: 4
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -62.786593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.786593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.786593 (E_RNA)
where:
Base-Base interactions energy: -25.189
where: short stacking energy: -26.121
Base-Backbone interact. energy: -0.144
local terms energy: -37.453450
where:
bonds (distance) C4'-P energy: -5.317
bonds (distance) P-C4' energy: -11.558
flat angles C4'-P-C4' energy: -10.028
flat angles P-C4'-P energy: -3.651
tors. eta vs tors. theta energy: -6.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -62.688379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.688379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.688379 (E_RNA)
where:
Base-Base interactions energy: -23.684
where: short stacking energy: -18.094
Base-Backbone interact. energy: -0.010
local terms energy: -38.994317
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -10.026
flat angles P-C4'-P energy: -5.796
tors. eta vs tors. theta energy: -2.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -130.003737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.003737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.003737 (E_RNA)
where:
Base-Base interactions energy: -84.440
where: short stacking energy: -33.597
Base-Backbone interact. energy: -0.646
local terms energy: -44.917952
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -10.315
flat angles P-C4'-P energy: -3.588
tors. eta vs tors. theta energy: -6.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -143.817003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.817003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.817003 (E_RNA)
where:
Base-Base interactions energy: -99.156
where: short stacking energy: -37.860
Base-Backbone interact. energy: 1.424
local terms energy: -46.084462
where:
bonds (distance) C4'-P energy: -9.383
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -10.774
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: -6.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -123.098477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.098477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.098477 (E_RNA)
where:
Base-Base interactions energy: -73.752
where: short stacking energy: -36.383
Base-Backbone interact. energy: -0.031
local terms energy: -49.316102
where:
bonds (distance) C4'-P energy: -7.454
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -8.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -81.167267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.167267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.167267 (E_RNA)
where:
Base-Base interactions energy: -38.501
where: short stacking energy: -35.124
Base-Backbone interact. energy: -0.131
local terms energy: -42.534697
where:
bonds (distance) C4'-P energy: -9.334
bonds (distance) P-C4' energy: -11.575
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: -4.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -66.246152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.246152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.246152 (E_RNA)
where:
Base-Base interactions energy: -19.950
where: short stacking energy: -19.950
Base-Backbone interact. energy: -0.002
local terms energy: -46.293819
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -10.624
flat angles C4'-P-C4' energy: -10.508
flat angles P-C4'-P energy: -6.163
tors. eta vs tors. theta energy: -9.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -62.892257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.892257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.892257 (E_RNA)
where:
Base-Base interactions energy: -22.245
where: short stacking energy: -21.807
Base-Backbone interact. energy: 0.226
local terms energy: -40.873099
where:
bonds (distance) C4'-P energy: -6.613
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -8.877
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -6.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -71.352596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.352596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.352596 (E_RNA)
where:
Base-Base interactions energy: -25.051
where: short stacking energy: -20.613
Base-Backbone interact. energy: -1.202
local terms energy: -45.100452
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -3.443
tors. eta vs tors. theta energy: -4.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -73.223598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.223598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.223598 (E_RNA)
where:
Base-Base interactions energy: -26.642
where: short stacking energy: -24.580
Base-Backbone interact. energy: -0.000
local terms energy: -46.580893
where:
bonds (distance) C4'-P energy: -5.110
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -9.637
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: 4
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -56.103892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.103892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.103892 (E_RNA)
where:
Base-Base interactions energy: -25.924
where: short stacking energy: -17.239
Base-Backbone interact. energy: 0.063
local terms energy: -30.242294
where:
bonds (distance) C4'-P energy: -9.274
bonds (distance) P-C4' energy: -10.351
flat angles C4'-P-C4' energy: -8.115
flat angles P-C4'-P energy: -3.589
tors. eta vs tors. theta energy: 1.086
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: 9
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -55.037447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.037447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.037447 (E_RNA)
where:
Base-Base interactions energy: -22.284
where: short stacking energy: -7.357
Base-Backbone interact. energy: 0.035
local terms energy: -32.788301
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -6.888
flat angles P-C4'-P energy: -5.280
tors. eta vs tors. theta energy: 4.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -140.487787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.487787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.487787 (E_RNA)
where:
Base-Base interactions energy: -92.298
where: short stacking energy: -36.876
Base-Backbone interact. energy: -1.223
local terms energy: -46.966920
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -10.675
flat angles C4'-P-C4' energy: -7.902
flat angles P-C4'-P energy: -6.169
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: 2, replica: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -120.456701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.456701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.456701 (E_RNA)
where:
Base-Base interactions energy: -72.099
where: short stacking energy: -26.195
Base-Backbone interact. energy: -1.226
local terms energy: -47.130876
where:
bonds (distance) C4'-P energy: -9.274
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -6.883
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: 8
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -104.804394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.804394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.804394 (E_RNA)
where:
Base-Base interactions energy: -58.061
where: short stacking energy: -27.953
Base-Backbone interact. energy: -0.567
local terms energy: -46.176256
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -10.842
flat angles P-C4'-P energy: -3.938
tors. eta vs tors. theta energy: -8.906
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: 1
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -72.764539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.764539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.764539 (E_RNA)
where:
Base-Base interactions energy: -29.030
where: short stacking energy: -21.075
Base-Backbone interact. energy: -0.132
local terms energy: -43.603143
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -9.398
flat angles C4'-P-C4' energy: -9.999
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -4.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -72.040527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.040527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.040527 (E_RNA)
where:
Base-Base interactions energy: -35.290
where: short stacking energy: -23.213
Base-Backbone interact. energy: -0.083
local terms energy: -36.667360
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -7.636
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -2.510
tors. eta vs tors. theta energy: -3.501
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: 5
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -67.843234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.843234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.843234 (E_RNA)
where:
Base-Base interactions energy: -23.672
where: short stacking energy: -21.680
Base-Backbone interact. energy: -0.098
local terms energy: -44.073647
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -2.069
tors. eta vs tors. theta energy: -7.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -69.209669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.209669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.209669 (E_RNA)
where:
Base-Base interactions energy: -28.765
where: short stacking energy: -28.324
Base-Backbone interact. energy: -0.001
local terms energy: -40.443739
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -10.812
flat angles C4'-P-C4' energy: -7.408
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -5.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -61.487206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.487206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.487206 (E_RNA)
where:
Base-Base interactions energy: -31.540
where: short stacking energy: -16.037
Base-Backbone interact. energy: -0.119
local terms energy: -29.828437
where:
bonds (distance) C4'-P energy: -7.320
bonds (distance) P-C4' energy: -6.670
flat angles C4'-P-C4' energy: -10.120
flat angles P-C4'-P energy: -3.856
tors. eta vs tors. theta energy: -1.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -65.160267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.160267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.160267 (E_RNA)
where:
Base-Base interactions energy: -27.305
where: short stacking energy: -14.913
Base-Backbone interact. energy: 0.624
local terms energy: -38.479701
where:
bonds (distance) C4'-P energy: -9.631
bonds (distance) P-C4' energy: -4.106
flat angles C4'-P-C4' energy: -9.801
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -6.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -54.947555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.947555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.947555 (E_RNA)
where:
Base-Base interactions energy: -16.747
where: short stacking energy: -15.668
Base-Backbone interact. energy: 0.054
local terms energy: -38.253987
where:
bonds (distance) C4'-P energy: -8.408
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -3.146
tors. eta vs tors. theta energy: -1.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -139.899698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.899698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.899698 (E_RNA)
where:
Base-Base interactions energy: -89.517
where: short stacking energy: -41.180
Base-Backbone interact. energy: -1.046
local terms energy: -49.336048
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -10.833
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -8.684
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: 8
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -96.668393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.668393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.668393 (E_RNA)
where:
Base-Base interactions energy: -57.165
where: short stacking energy: -26.123
Base-Backbone interact. energy: -0.004
local terms energy: -39.499372
where:
bonds (distance) C4'-P energy: -9.665
bonds (distance) P-C4' energy: -10.147
flat angles C4'-P-C4' energy: -9.126
flat angles P-C4'-P energy: -4.500
tors. eta vs tors. theta energy: -6.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -116.927923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.927923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.927923 (E_RNA)
where:
Base-Base interactions energy: -66.941
where: short stacking energy: -22.057
Base-Backbone interact. energy: -1.464
local terms energy: -48.522699
where:
bonds (distance) C4'-P energy: -9.811
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -8.614
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: 4, replica: 10
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -74.239857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.239857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.239857 (E_RNA)
where:
Base-Base interactions energy: -32.591
where: short stacking energy: -17.080
Base-Backbone interact. energy: -0.144
local terms energy: -41.504850
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: 2.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -79.009578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.009578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.009578 (E_RNA)
where:
Base-Base interactions energy: -41.041
where: short stacking energy: -20.336
Base-Backbone interact. energy: -0.102
local terms energy: -37.867369
where:
bonds (distance) C4'-P energy: -9.266
bonds (distance) P-C4' energy: -9.146
flat angles C4'-P-C4' energy: -9.081
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -3.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -65.899875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.899875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.899875 (E_RNA)
where:
Base-Base interactions energy: -22.847
where: short stacking energy: -19.837
Base-Backbone interact. energy: -0.008
local terms energy: -43.044836
where:
bonds (distance) C4'-P energy: -8.289
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -10.057
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -4.101
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: 5
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -56.889504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.889504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.889504 (E_RNA)
where:
Base-Base interactions energy: -14.914
where: short stacking energy: -14.914
Base-Backbone interact. energy: -0.649
local terms energy: -41.325893
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -10.727
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: 0.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -55.607122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.607122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.607122 (E_RNA)
where:
Base-Base interactions energy: -17.876
where: short stacking energy: -16.105
Base-Backbone interact. energy: -0.555
local terms energy: -37.176133
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -10.458
flat angles C4'-P-C4' energy: -10.069
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: 0.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -50.749490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.749490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.749490 (E_RNA)
where:
Base-Base interactions energy: -12.971
where: short stacking energy: -9.988
Base-Backbone interact. energy: -0.000
local terms energy: -37.778441
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -11.991
flat angles C4'-P-C4' energy: -6.605
flat angles P-C4'-P energy: -8.297
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: 4
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -55.662788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.662788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.662788 (E_RNA)
where:
Base-Base interactions energy: -18.901
where: short stacking energy: -16.346
Base-Backbone interact. energy: -0.081
local terms energy: -36.680608
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -11.285
flat angles C4'-P-C4' energy: -4.254
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: -3.089
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: 3
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -118.902191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.902191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.902191 (E_RNA)
where:
Base-Base interactions energy: -72.429
where: short stacking energy: -39.160
Base-Backbone interact. energy: -0.140
local terms energy: -46.333414
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -4.184
tors. eta vs tors. theta energy: -9.450
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: 8
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -109.095207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.095207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.095207 (E_RNA)
where:
Base-Base interactions energy: -65.048
where: short stacking energy: -29.493
Base-Backbone interact. energy: -0.033
local terms energy: -44.014173
where:
bonds (distance) C4'-P energy: -6.870
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -6.410
tors. eta vs tors. theta energy: -6.779
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: 334
Temperature: 1.000000
Total energy: -92.401074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.401074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.401074 (E_RNA)
where:
Base-Base interactions energy: -39.189
where: short stacking energy: -39.189
Base-Backbone interact. energy: -0.002
local terms energy: -53.209756
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -11.751
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -9.595
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: 7
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -73.360186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.360186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.360186 (E_RNA)
where:
Base-Base interactions energy: -33.733
where: short stacking energy: -23.216
Base-Backbone interact. energy: -0.142
local terms energy: -39.484520
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -7.294
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -1.848
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: 2
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -71.380528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.380528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.380528 (E_RNA)
where:
Base-Base interactions energy: -36.799
where: short stacking energy: -23.353
Base-Backbone interact. energy: -0.221
local terms energy: -34.361200
where:
bonds (distance) C4'-P energy: -8.128
bonds (distance) P-C4' energy: -11.839
flat angles C4'-P-C4' energy: -7.984
flat angles P-C4'-P energy: -3.553
tors. eta vs tors. theta energy: -2.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -57.636251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.636251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.636251 (E_RNA)
where:
Base-Base interactions energy: -26.194
where: short stacking energy: -17.568
Base-Backbone interact. energy: 0.221
local terms energy: -31.662806
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -7.788
flat angles C4'-P-C4' energy: -3.418
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: -2.431
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: 7, replica: 9
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -67.808869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.808869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.808869 (E_RNA)
where:
Base-Base interactions energy: -23.680
where: short stacking energy: -23.680
Base-Backbone interact. energy: -0.088
local terms energy: -44.040669
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -9.726
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -4.573
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: 5
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -60.920915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.920915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.920915 (E_RNA)
where:
Base-Base interactions energy: -24.825
where: short stacking energy: -14.939
Base-Backbone interact. energy: -0.146
local terms energy: -35.949432
where:
bonds (distance) C4'-P energy: -9.100
bonds (distance) P-C4' energy: -10.323
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -2.966
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: 4
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -51.999128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.999128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.999128 (E_RNA)
where:
Base-Base interactions energy: -12.345
where: short stacking energy: -12.345
Base-Backbone interact. energy: -0.038
local terms energy: -39.616105
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -9.468
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -4.489
tors. eta vs tors. theta energy: -3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -55.392570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.392570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.392570 (E_RNA)
where:
Base-Base interactions energy: -24.192
where: short stacking energy: -13.760
Base-Backbone interact. energy: -0.042
local terms energy: -31.158382
where:
bonds (distance) C4'-P energy: -9.643
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -2.429
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: 2.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -117.292042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.292042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.292042 (E_RNA)
where:
Base-Base interactions energy: -66.185
where: short stacking energy: -40.698
Base-Backbone interact. energy: -0.095
local terms energy: -51.012349
where:
bonds (distance) C4'-P energy: -10.876
bonds (distance) P-C4' energy: -10.144
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -5.340
tors. eta vs tors. theta energy: -11.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -122.349807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.349807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.349807 (E_RNA)
where:
Base-Base interactions energy: -75.891
where: short stacking energy: -26.332
Base-Backbone interact. energy: -0.579
local terms energy: -45.879639
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -9.182
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -5.192
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: 10
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -88.804967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.804967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.804967 (E_RNA)
where:
Base-Base interactions energy: -41.598
where: short stacking energy: -33.672
Base-Backbone interact. energy: -0.001
local terms energy: -47.206463
where:
bonds (distance) C4'-P energy: -9.701
bonds (distance) P-C4' energy: -10.342
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -6.245
tors. eta vs tors. theta energy: -9.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -71.494480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.494480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.494480 (E_RNA)
where:
Base-Base interactions energy: -27.084
where: short stacking energy: -26.255
Base-Backbone interact. energy: -0.118
local terms energy: -44.292133
where:
bonds (distance) C4'-P energy: -9.267
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -11.023
flat angles P-C4'-P energy: -7.022
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: 5, replica: 7
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -72.687339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.687339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.687339 (E_RNA)
where:
Base-Base interactions energy: -37.698
where: short stacking energy: -14.262
Base-Backbone interact. energy: 0.861
local terms energy: -35.850067
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -7.404
flat angles P-C4'-P energy: -5.338
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: 6, replica: 9
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -70.752258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.752258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.752258 (E_RNA)
where:
Base-Base interactions energy: -38.029
where: short stacking energy: -27.375
Base-Backbone interact. energy: -0.068
local terms energy: -32.654884
where:
bonds (distance) C4'-P energy: -8.173
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -6.887
flat angles P-C4'-P energy: -1.489
tors. eta vs tors. theta energy: -3.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -63.232632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.232632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.232632 (E_RNA)
where:
Base-Base interactions energy: -22.467
where: short stacking energy: -19.587
Base-Backbone interact. energy: -0.478
local terms energy: -40.287801
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -9.193
flat angles P-C4'-P energy: -4.586
tors. eta vs tors. theta energy: -1.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -66.772409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.772409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.772409 (E_RNA)
where:
Base-Base interactions energy: -23.548
where: short stacking energy: -21.473
Base-Backbone interact. energy: -0.012
local terms energy: -43.212728
where:
bonds (distance) C4'-P energy: -8.207
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -11.683
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -5.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -60.261662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.261662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.261662 (E_RNA)
where:
Base-Base interactions energy: -22.359
where: short stacking energy: -22.359
Base-Backbone interact. energy: -0.191
local terms energy: -37.711917
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -6.679
flat angles C4'-P-C4' energy: -4.646
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -6.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -57.013887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.013887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.013887 (E_RNA)
where:
Base-Base interactions energy: -18.852
where: short stacking energy: -18.114
Base-Backbone interact. energy: -0.063
local terms energy: -38.098239
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -9.415
flat angles C4'-P-C4' energy: -7.246
flat angles P-C4'-P energy: -6.769
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: 1, replica: 8
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -145.607584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.607584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.607584 (E_RNA)
where:
Base-Base interactions energy: -92.221
where: short stacking energy: -38.454
Base-Backbone interact. energy: -1.000
local terms energy: -52.386610
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -8.589
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -11.920
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: 3
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -108.182072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.182072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.182072 (E_RNA)
where:
Base-Base interactions energy: -67.094
where: short stacking energy: -28.861
Base-Backbone interact. energy: -0.048
local terms energy: -41.040493
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -8.221
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -3.110
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: 2
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -90.834763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.834763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.834763 (E_RNA)
where:
Base-Base interactions energy: -48.028
where: short stacking energy: -29.691
Base-Backbone interact. energy: -1.544
local terms energy: -41.262637
where:
bonds (distance) C4'-P energy: -10.057
bonds (distance) P-C4' energy: -9.536
flat angles C4'-P-C4' energy: -8.308
flat angles P-C4'-P energy: -3.718
tors. eta vs tors. theta energy: -9.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -95.700291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.700291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.700291 (E_RNA)
where:
Base-Base interactions energy: -56.117
where: short stacking energy: -14.530
Base-Backbone interact. energy: -0.928
local terms energy: -38.656168
where:
bonds (distance) C4'-P energy: -9.510
bonds (distance) P-C4' energy: -10.490
flat angles C4'-P-C4' energy: -10.124
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -1.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -66.412904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.412904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.412904 (E_RNA)
where:
Base-Base interactions energy: -28.504
where: short stacking energy: -16.707
Base-Backbone interact. energy: -0.338
local terms energy: -37.570534
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -8.936
flat angles P-C4'-P energy: -5.881
tors. eta vs tors. theta energy: -0.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -68.681257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.681257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.681257 (E_RNA)
where:
Base-Base interactions energy: -30.884
where: short stacking energy: -13.330
Base-Backbone interact. energy: -0.004
local terms energy: -37.792692
where:
bonds (distance) C4'-P energy: -7.896
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -9.109
flat angles P-C4'-P energy: -6.306
tors. eta vs tors. theta energy: -2.185
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: 7, replica: 4
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -61.209383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.209383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.209383 (E_RNA)
where:
Base-Base interactions energy: -21.653
where: short stacking energy: -14.268
Base-Backbone interact. energy: -1.406
local terms energy: -38.150774
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -8.395
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: 2.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -54.704781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.704781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.704781 (E_RNA)
where:
Base-Base interactions energy: -21.630
where: short stacking energy: -15.179
Base-Backbone interact. energy: -0.075
local terms energy: -32.998919
where:
bonds (distance) C4'-P energy: -6.786
bonds (distance) P-C4' energy: -9.640
flat angles C4'-P-C4' energy: -9.720
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: 0.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -60.793620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.793620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.793620 (E_RNA)
where:
Base-Base interactions energy: -27.202
where: short stacking energy: -11.937
Base-Backbone interact. energy: -0.077
local terms energy: -33.514899
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -9.647
flat angles C4'-P-C4' energy: -8.489
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: 2.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -50.043218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.043218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.043218 (E_RNA)
where:
Base-Base interactions energy: -12.390
where: short stacking energy: -12.390
Base-Backbone interact. energy: -0.030
local terms energy: -37.622708
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -11.071
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -5.804
tors. eta vs tors. theta energy: 1.813
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: 1, replica: 8
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -141.982486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.982486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.982486 (E_RNA)
where:
Base-Base interactions energy: -94.221
where: short stacking energy: -35.385
Base-Backbone interact. energy: -0.356
local terms energy: -47.405903
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -8.068
flat angles P-C4'-P energy: -6.928
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: 2, replica: 2
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -92.911531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.911531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.911531 (E_RNA)
where:
Base-Base interactions energy: -46.624
where: short stacking energy: -28.504
Base-Backbone interact. energy: -0.072
local terms energy: -46.215356
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -10.230
flat angles P-C4'-P energy: -5.814
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: 3, replica: 3
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -105.904496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.904496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.904496 (E_RNA)
where:
Base-Base interactions energy: -57.614
where: short stacking energy: -27.515
Base-Backbone interact. energy: -0.087
local terms energy: -48.203295
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -8.517
flat angles C4'-P-C4' energy: -10.846
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -7.833
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: 10
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -87.886863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.886863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.886863 (E_RNA)
where:
Base-Base interactions energy: -46.696
where: short stacking energy: -16.246
Base-Backbone interact. energy: -0.361
local terms energy: -40.829690
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -4.818
tors. eta vs tors. theta energy: -3.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -80.069806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.069806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.069806 (E_RNA)
where:
Base-Base interactions energy: -36.014
where: short stacking energy: -27.991
Base-Backbone interact. energy: -0.006
local terms energy: -44.050031
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -5.745
flat angles P-C4'-P energy: -4.565
tors. eta vs tors. theta energy: -9.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -77.599731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.599731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.599731 (E_RNA)
where:
Base-Base interactions energy: -33.106
where: short stacking energy: -15.235
Base-Backbone interact. energy: -0.025
local terms energy: -44.468817
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -11.384
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -3.578
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: 337
Temperature: 1.200000
Total energy: -57.310198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.310198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.310198 (E_RNA)
where:
Base-Base interactions energy: -22.488
where: short stacking energy: -22.392
Base-Backbone interact. energy: -0.091
local terms energy: -34.731539
where:
bonds (distance) C4'-P energy: -8.712
bonds (distance) P-C4' energy: -10.569
flat angles C4'-P-C4' energy: -9.228
flat angles P-C4'-P energy: -4.625
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: 8, replica: 6
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -59.316061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.316061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.316061 (E_RNA)
where:
Base-Base interactions energy: -23.015
where: short stacking energy: -12.929
Base-Backbone interact. energy: -0.130
local terms energy: -36.170375
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -9.013
flat angles P-C4'-P energy: -4.410
tors. eta vs tors. theta energy: 1.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -69.670010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.670010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.670010 (E_RNA)
where:
Base-Base interactions energy: -31.231
where: short stacking energy: -18.796
Base-Backbone interact. energy: 0.587
local terms energy: -39.025852
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -7.408
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -1.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -55.679181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.679181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.679181 (E_RNA)
where:
Base-Base interactions energy: -18.383
where: short stacking energy: -16.483
Base-Backbone interact. energy: -0.056
local terms energy: -37.239821
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -11.069
flat angles C4'-P-C4' energy: -6.727
flat angles P-C4'-P energy: -6.759
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: 1, replica: 8
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -141.668795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.668795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.668795 (E_RNA)
where:
Base-Base interactions energy: -93.775
where: short stacking energy: -41.794
Base-Backbone interact. energy: -0.754
local terms energy: -47.139626
where:
bonds (distance) C4'-P energy: -9.829
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: -7.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -71.672245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.672245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.672245 (E_RNA)
where:
Base-Base interactions energy: -26.216
where: short stacking energy: -26.109
Base-Backbone interact. energy: -0.163
local terms energy: -45.293084
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -10.157
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -113.502943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.502943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.502943 (E_RNA)
where:
Base-Base interactions energy: -65.080
where: short stacking energy: -29.820
Base-Backbone interact. energy: -0.004
local terms energy: -48.419140
where:
bonds (distance) C4'-P energy: -10.343
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -8.697
flat angles P-C4'-P energy: -5.352
tors. eta vs tors. theta energy: -11.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -86.712211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.712211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.712211 (E_RNA)
where:
Base-Base interactions energy: -48.641
where: short stacking energy: -25.253
Base-Backbone interact. energy: -0.092
local terms energy: -37.978942
where:
bonds (distance) C4'-P energy: -8.000
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -4.984
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -5.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -68.706188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.706188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.706188 (E_RNA)
where:
Base-Base interactions energy: -40.263
where: short stacking energy: -20.333
Base-Backbone interact. energy: 0.053
local terms energy: -28.496424
where:
bonds (distance) C4'-P energy: -6.066
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -6.732
flat angles P-C4'-P energy: -3.196
tors. eta vs tors. theta energy: -0.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -69.716026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.716026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.716026 (E_RNA)
where:
Base-Base interactions energy: -28.669
where: short stacking energy: -28.669
Base-Backbone interact. energy: -0.044
local terms energy: -41.003589
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -8.397
flat angles P-C4'-P energy: -7.352
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: 7, replica: 6
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -66.536715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.536715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.536715 (E_RNA)
where:
Base-Base interactions energy: -28.803
where: short stacking energy: -24.953
Base-Backbone interact. energy: -0.449
local terms energy: -37.284838
where:
bonds (distance) C4'-P energy: -7.536
bonds (distance) P-C4' energy: -10.357
flat angles C4'-P-C4' energy: -7.675
flat angles P-C4'-P energy: -7.510
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: 8, replica: 7
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -63.527549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.527549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.527549 (E_RNA)
where:
Base-Base interactions energy: -19.874
where: short stacking energy: -19.140
Base-Backbone interact. energy: -0.158
local terms energy: -43.495524
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -6.691
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -3.541
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: 9, replica: 5
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -63.335266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.335266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.335266 (E_RNA)
where:
Base-Base interactions energy: -27.936
where: short stacking energy: -14.666
Base-Backbone interact. energy: -0.096
local terms energy: -35.303008
where:
bonds (distance) C4'-P energy: -9.268
bonds (distance) P-C4' energy: -9.684
flat angles C4'-P-C4' energy: -9.126
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: 1.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -57.700076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.700076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.700076 (E_RNA)
where:
Base-Base interactions energy: -32.041
where: short stacking energy: -17.857
Base-Backbone interact. energy: 0.603
local terms energy: -26.261662
where:
bonds (distance) C4'-P energy: -6.100
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -9.290
flat angles P-C4'-P energy: -3.611
tors. eta vs tors. theta energy: -2.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -140.271680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.271680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.271680 (E_RNA)
where:
Base-Base interactions energy: -98.347
where: short stacking energy: -39.895
Base-Backbone interact. energy: 0.347
local terms energy: -42.271446
where:
bonds (distance) C4'-P energy: -7.035
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -10.825
flat angles P-C4'-P energy: -4.852
tors. eta vs tors. theta energy: -6.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -113.997735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.997735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.997735 (E_RNA)
where:
Base-Base interactions energy: -65.667
where: short stacking energy: -32.038
Base-Backbone interact. energy: -0.954
local terms energy: -47.377141
where:
bonds (distance) C4'-P energy: -9.089
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -5.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -85.420186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.420186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.420186 (E_RNA)
where:
Base-Base interactions energy: -41.244
where: short stacking energy: -29.057
Base-Backbone interact. energy: -0.100
local terms energy: -44.076168
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -10.250
flat angles C4'-P-C4' energy: -5.944
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -8.490
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: 4, replica: 10
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -83.458315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.458315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.458315 (E_RNA)
where:
Base-Base interactions energy: -44.974
where: short stacking energy: -19.279
Base-Backbone interact. energy: -0.093
local terms energy: -38.391385
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -10.947
flat angles C4'-P-C4' energy: -6.398
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -3.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -61.286215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.286215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.286215 (E_RNA)
where:
Base-Base interactions energy: -21.131
where: short stacking energy: -17.519
Base-Backbone interact. energy: -0.117
local terms energy: -40.038364
where:
bonds (distance) C4'-P energy: -9.628
bonds (distance) P-C4' energy: -9.245
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -7.464
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: 6, replica: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -75.116139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.116139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.116139 (E_RNA)
where:
Base-Base interactions energy: -36.904
where: short stacking energy: -30.438
Base-Backbone interact. energy: -0.008
local terms energy: -38.204784
where:
bonds (distance) C4'-P energy: -6.866
bonds (distance) P-C4' energy: -11.242
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -2.525
tors. eta vs tors. theta energy: -6.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -60.014818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.014818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.014818 (E_RNA)
where:
Base-Base interactions energy: -27.059
where: short stacking energy: -27.059
Base-Backbone interact. energy: -0.034
local terms energy: -32.921755
where:
bonds (distance) C4'-P energy: -10.132
bonds (distance) P-C4' energy: -8.603
flat angles C4'-P-C4' energy: -7.208
flat angles P-C4'-P energy: -5.019
tors. eta vs tors. theta energy: -1.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -60.669502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.669502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.669502 (E_RNA)
where:
Base-Base interactions energy: -22.635
where: short stacking energy: -8.952
Base-Backbone interact. energy: -0.175
local terms energy: -37.858758
where:
bonds (distance) C4'-P energy: -11.482
bonds (distance) P-C4' energy: -10.679
flat angles C4'-P-C4' energy: -7.181
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: 1.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -60.085609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.085609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.085609 (E_RNA)
where:
Base-Base interactions energy: -28.416
where: short stacking energy: -18.241
Base-Backbone interact. energy: -0.027
local terms energy: -31.642856
where:
bonds (distance) C4'-P energy: -9.047
bonds (distance) P-C4' energy: -3.438
flat angles C4'-P-C4' energy: -7.908
flat angles P-C4'-P energy: -3.957
tors. eta vs tors. theta energy: -7.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -55.395590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.395590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.395590 (E_RNA)
where:
Base-Base interactions energy: -14.266
where: short stacking energy: -13.523
Base-Backbone interact. energy: -0.075
local terms energy: -41.054567
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -9.883
flat angles P-C4'-P energy: -7.265
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: 8
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -145.270794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.270794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.270794 (E_RNA)
where:
Base-Base interactions energy: -90.428
where: short stacking energy: -42.121
Base-Backbone interact. energy: -1.331
local terms energy: -53.511372
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -8.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -127.814811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.814811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.814811 (E_RNA)
where:
Base-Base interactions energy: -77.789
where: short stacking energy: -34.877
Base-Backbone interact. energy: -0.504
local terms energy: -49.521149
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -10.454
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -8.932
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: 3, replica: 10
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -76.002857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.002857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.002857 (E_RNA)
where:
Base-Base interactions energy: -29.128
where: short stacking energy: -29.128
Base-Backbone interact. energy: -0.007
local terms energy: -46.868433
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -6.317
tors. eta vs tors. theta energy: -4.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -113.419093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.419093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.419093 (E_RNA)
where:
Base-Base interactions energy: -67.169
where: short stacking energy: -24.963
Base-Backbone interact. energy: -0.293
local terms energy: -45.957457
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -8.610
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -7.047
tors. eta vs tors. theta energy: -7.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -78.689597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.689597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.689597 (E_RNA)
where:
Base-Base interactions energy: -41.591
where: short stacking energy: -28.404
Base-Backbone interact. energy: -0.099
local terms energy: -36.999672
where:
bonds (distance) C4'-P energy: -10.567
bonds (distance) P-C4' energy: -10.720
flat angles C4'-P-C4' energy: -6.483
flat angles P-C4'-P energy: -3.567
tors. eta vs tors. theta energy: -5.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -64.512598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.512598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.512598 (E_RNA)
where:
Base-Base interactions energy: -29.676
where: short stacking energy: -16.001
Base-Backbone interact. energy: -0.194
local terms energy: -34.641826
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -8.115
flat angles C4'-P-C4' energy: -9.427
flat angles P-C4'-P energy: -5.505
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: 7, replica: 7
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -74.265338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.265338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.265338 (E_RNA)
where:
Base-Base interactions energy: -35.971
where: short stacking energy: -24.987
Base-Backbone interact. energy: -0.150
local terms energy: -38.143951
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -8.951
flat angles P-C4'-P energy: -3.704
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: 8, replica: 9
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -64.961193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.961193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.961193 (E_RNA)
where:
Base-Base interactions energy: -38.401
where: short stacking energy: -15.568
Base-Backbone interact. energy: -0.174
local terms energy: -26.386083
where:
bonds (distance) C4'-P energy: -6.670
bonds (distance) P-C4' energy: -9.059
flat angles C4'-P-C4' energy: -4.265
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: 1.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -57.927894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.927894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.927894 (E_RNA)
where:
Base-Base interactions energy: -15.263
where: short stacking energy: -15.263
Base-Backbone interact. energy: -0.004
local terms energy: -42.661293
where:
bonds (distance) C4'-P energy: -8.327
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -4.105
tors. eta vs tors. theta energy: -5.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -64.234714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.234714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.234714 (E_RNA)
where:
Base-Base interactions energy: -21.296
where: short stacking energy: -19.824
Base-Backbone interact. energy: -0.023
local terms energy: -42.915221
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -8.923
flat angles C4'-P-C4' energy: -9.900
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -4.477
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: 8
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -142.892284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.892284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.892284 (E_RNA)
where:
Base-Base interactions energy: -94.298
where: short stacking energy: -35.845
Base-Backbone interact. energy: -0.818
local terms energy: -47.776289
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -11.105
flat angles C4'-P-C4' energy: -11.118
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -8.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -129.425964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.425964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.425964 (E_RNA)
where:
Base-Base interactions energy: -76.914
where: short stacking energy: -40.474
Base-Backbone interact. energy: -0.382
local terms energy: -52.129836
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -9.629
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: 10
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -95.182353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.182353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.182353 (E_RNA)
where:
Base-Base interactions energy: -54.585
where: short stacking energy: -31.220
Base-Backbone interact. energy: -0.244
local terms energy: -40.353018
where:
bonds (distance) C4'-P energy: -8.160
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -11.007
flat angles P-C4'-P energy: -4.147
tors. eta vs tors. theta energy: -4.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -106.780250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.780250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.780250 (E_RNA)
where:
Base-Base interactions energy: -58.478
where: short stacking energy: -36.828
Base-Backbone interact. energy: -0.332
local terms energy: -47.970626
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -10.060
flat angles C4'-P-C4' energy: -8.289
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: -12.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -83.881837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.881837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.881837 (E_RNA)
where:
Base-Base interactions energy: -38.309
where: short stacking energy: -25.993
Base-Backbone interact. energy: -0.012
local terms energy: -45.560884
where:
bonds (distance) C4'-P energy: -8.749
bonds (distance) P-C4' energy: -10.153
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -4.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -63.596735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.596735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.596735 (E_RNA)
where:
Base-Base interactions energy: -19.960
where: short stacking energy: -7.023
Base-Backbone interact. energy: -0.055
local terms energy: -43.581445
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -12.040
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -5.914
tors. eta vs tors. theta energy: -1.046
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: 7, replica: 7
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -71.005757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.005757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.005757 (E_RNA)
where:
Base-Base interactions energy: -24.976
where: short stacking energy: -24.976
Base-Backbone interact. energy: -0.003
local terms energy: -46.026918
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -10.486
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -3.853
tors. eta vs tors. theta energy: -7.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -75.444939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.444939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.444939 (E_RNA)
where:
Base-Base interactions energy: -40.558
where: short stacking energy: -25.147
Base-Backbone interact. energy: -0.050
local terms energy: -34.837132
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -2.636
flat angles P-C4'-P energy: -6.483
tors. eta vs tors. theta energy: -3.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -60.636724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.636724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.636724 (E_RNA)
where:
Base-Base interactions energy: -21.920
where: short stacking energy: -15.740
Base-Backbone interact. energy: -0.080
local terms energy: -38.636976
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: 1.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -61.635810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.635810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.635810 (E_RNA)
where:
Base-Base interactions energy: -26.441
where: short stacking energy: -23.211
Base-Backbone interact. energy: -0.011
local terms energy: -35.183886
where:
bonds (distance) C4'-P energy: -10.028
bonds (distance) P-C4' energy: -6.383
flat angles C4'-P-C4' energy: -9.490
flat angles P-C4'-P energy: -5.031
tors. eta vs tors. theta energy: -4.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -145.242609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.242609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.242609 (E_RNA)
where:
Base-Base interactions energy: -96.023
where: short stacking energy: -31.994
Base-Backbone interact. energy: -0.078
local terms energy: -49.141045
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -10.557
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -8.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -127.707029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.707029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.707029 (E_RNA)
where:
Base-Base interactions energy: -78.227
where: short stacking energy: -36.847
Base-Backbone interact. energy: -0.112
local terms energy: -49.368816
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -7.878
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -10.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -116.626200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.626200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.626200 (E_RNA)
where:
Base-Base interactions energy: -70.755
where: short stacking energy: -35.469
Base-Backbone interact. energy: -0.448
local terms energy: -45.423419
where:
bonds (distance) C4'-P energy: -10.987
bonds (distance) P-C4' energy: -9.086
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -7.756
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: 4, replica: 10
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -98.930737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.930737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.930737 (E_RNA)
where:
Base-Base interactions energy: -56.400
where: short stacking energy: -21.064
Base-Backbone interact. energy: -0.425
local terms energy: -42.106208
where:
bonds (distance) C4'-P energy: -8.044
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -1.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -72.020212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.020212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.020212 (E_RNA)
where:
Base-Base interactions energy: -37.012
where: short stacking energy: -20.758
Base-Backbone interact. energy: 0.640
local terms energy: -35.648605
where:
bonds (distance) C4'-P energy: -7.108
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -11.935
flat angles P-C4'-P energy: -3.015
tors. eta vs tors. theta energy: -0.501
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: 342
Temperature: 1.150000
Total energy: -76.537621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.537621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.537621 (E_RNA)
where:
Base-Base interactions energy: -32.056
where: short stacking energy: -21.272
Base-Backbone interact. energy: -0.054
local terms energy: -44.427853
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -9.759
flat angles C4'-P-C4' energy: -10.388
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -2.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -67.512578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.512578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.512578 (E_RNA)
where:
Base-Base interactions energy: -26.159
where: short stacking energy: -18.439
Base-Backbone interact. energy: -0.406
local terms energy: -40.947462
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -8.560
flat angles C4'-P-C4' energy: -10.545
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -68.779342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.779342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.779342 (E_RNA)
where:
Base-Base interactions energy: -25.982
where: short stacking energy: -25.406
Base-Backbone interact. energy: -0.123
local terms energy: -42.674032
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -7.208
flat angles C4'-P-C4' energy: -9.564
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -7.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -56.283652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.283652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.283652 (E_RNA)
where:
Base-Base interactions energy: -21.617
where: short stacking energy: -17.179
Base-Backbone interact. energy: -0.292
local terms energy: -34.374771
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -8.477
flat angles C4'-P-C4' energy: -9.052
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: 1.458
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: 10, replica: 5
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -52.771984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.771984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.771984 (E_RNA)
where:
Base-Base interactions energy: -18.338
where: short stacking energy: -18.338
Base-Backbone interact. energy: -0.012
local terms energy: -34.421952
where:
bonds (distance) C4'-P energy: -8.045
bonds (distance) P-C4' energy: -10.049
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -5.691
tors. eta vs tors. theta energy: -0.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -125.882603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.882603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.882603 (E_RNA)
where:
Base-Base interactions energy: -76.862
where: short stacking energy: -40.117
Base-Backbone interact. energy: -0.024
local terms energy: -48.996391
where:
bonds (distance) C4'-P energy: -8.717
bonds (distance) P-C4' energy: -9.890
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -11.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -130.876640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.876640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.876640 (E_RNA)
where:
Base-Base interactions energy: -86.480
where: short stacking energy: -40.811
Base-Backbone interact. energy: -0.696
local terms energy: -43.700707
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -10.359
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -0.986
tors. eta vs tors. theta energy: -7.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -113.016739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.016739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.016739 (E_RNA)
where:
Base-Base interactions energy: -68.745
where: short stacking energy: -31.154
Base-Backbone interact. energy: -0.062
local terms energy: -44.209364
where:
bonds (distance) C4'-P energy: -8.605
bonds (distance) P-C4' energy: -8.459
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -2.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -69.550609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.550609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.550609 (E_RNA)
where:
Base-Base interactions energy: -21.160
where: short stacking energy: -21.160
Base-Backbone interact. energy: -0.001
local terms energy: -48.389250
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -6.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -75.014922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.014922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.014922 (E_RNA)
where:
Base-Base interactions energy: -34.063
where: short stacking energy: -23.209
Base-Backbone interact. energy: -0.024
local terms energy: -40.927339
where:
bonds (distance) C4'-P energy: -7.397
bonds (distance) P-C4' energy: -10.422
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -2.600
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: 9
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -74.067018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.067018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.067018 (E_RNA)
where:
Base-Base interactions energy: -36.467
where: short stacking energy: -21.203
Base-Backbone interact. energy: -0.411
local terms energy: -37.189069
where:
bonds (distance) C4'-P energy: -7.577
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -2.520
tors. eta vs tors. theta energy: -2.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -71.308530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.308530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.308530 (E_RNA)
where:
Base-Base interactions energy: -26.285
where: short stacking energy: -23.399
Base-Backbone interact. energy: -1.303
local terms energy: -43.721370
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -8.174
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -6.845
tors. eta vs tors. theta energy: -5.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -71.490569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.490569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.490569 (E_RNA)
where:
Base-Base interactions energy: -34.253
where: short stacking energy: -12.682
Base-Backbone interact. energy: -0.159
local terms energy: -37.078762
where:
bonds (distance) C4'-P energy: -9.895
bonds (distance) P-C4' energy: -5.674
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -1.993
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: 7
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -67.963854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.963854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.963854 (E_RNA)
where:
Base-Base interactions energy: -33.284
where: short stacking energy: -23.080
Base-Backbone interact. energy: 0.241
local terms energy: -34.920517
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -9.099
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -4.152
tors. eta vs tors. theta energy: -0.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -51.133069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.133069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.133069 (E_RNA)
where:
Base-Base interactions energy: -13.401
where: short stacking energy: -11.266
Base-Backbone interact. energy: 1.638
local terms energy: -39.370662
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -7.876
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -2.756
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: 3
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -130.661890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.661890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.661890 (E_RNA)
where:
Base-Base interactions energy: -81.098
where: short stacking energy: -42.592
Base-Backbone interact. energy: 0.661
local terms energy: -50.224901
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -12.206
flat angles C4'-P-C4' energy: -9.548
flat angles P-C4'-P energy: -6.759
tors. eta vs tors. theta energy: -10.227
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: 8
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -132.281657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.281657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.281657 (E_RNA)
where:
Base-Base interactions energy: -87.662
where: short stacking energy: -35.514
Base-Backbone interact. energy: -1.487
local terms energy: -43.132007
where:
bonds (distance) C4'-P energy: -9.821
bonds (distance) P-C4' energy: -6.733
flat angles C4'-P-C4' energy: -10.229
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -8.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -109.799589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.799589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.799589 (E_RNA)
where:
Base-Base interactions energy: -68.611
where: short stacking energy: -25.445
Base-Backbone interact. energy: 0.164
local terms energy: -41.352705
where:
bonds (distance) C4'-P energy: -9.702
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -9.758
flat angles P-C4'-P energy: -6.028
tors. eta vs tors. theta energy: -3.900
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: 4
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -77.461258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.461258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.461258 (E_RNA)
where:
Base-Base interactions energy: -31.506
where: short stacking energy: -23.450
Base-Backbone interact. energy: -0.031
local terms energy: -45.924029
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -10.283
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -1.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -69.227697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.227697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.227697 (E_RNA)
where:
Base-Base interactions energy: -27.461
where: short stacking energy: -19.807
Base-Backbone interact. energy: -0.118
local terms energy: -41.648755
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -11.029
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -4.955
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: 6, replica: 10
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -74.204153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.204153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.204153 (E_RNA)
where:
Base-Base interactions energy: -33.290
where: short stacking energy: -16.632
Base-Backbone interact. energy: -0.105
local terms energy: -40.809887
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -9.640
flat angles C4'-P-C4' energy: -9.033
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -1.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -61.790513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.790513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.790513 (E_RNA)
where:
Base-Base interactions energy: -27.946
where: short stacking energy: -18.740
Base-Backbone interact. energy: 0.217
local terms energy: -34.061984
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -6.696
flat angles P-C4'-P energy: -3.805
tors. eta vs tors. theta energy: -2.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -73.339943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.339943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.339943 (E_RNA)
where:
Base-Base interactions energy: -31.333
where: short stacking energy: -30.065
Base-Backbone interact. energy: -0.007
local terms energy: -41.999847
where:
bonds (distance) C4'-P energy: -2.101
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -6.304
tors. eta vs tors. theta energy: -10.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -63.066773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.066773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.066773 (E_RNA)
where:
Base-Base interactions energy: -23.306
where: short stacking energy: -15.281
Base-Backbone interact. energy: 0.780
local terms energy: -40.541404
where:
bonds (distance) C4'-P energy: -7.817
bonds (distance) P-C4' energy: -7.647
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -5.306
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: 7
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -59.195439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.195439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.195439 (E_RNA)
where:
Base-Base interactions energy: -25.237
where: short stacking energy: -11.358
Base-Backbone interact. energy: -0.413
local terms energy: -33.544830
where:
bonds (distance) C4'-P energy: -7.561
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -5.213
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -0.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -129.857398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.857398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.857398 (E_RNA)
where:
Base-Base interactions energy: -78.428
where: short stacking energy: -38.800
Base-Backbone interact. energy: -0.075
local terms energy: -51.354179
where:
bonds (distance) C4'-P energy: -8.984
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -8.728
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: 2, replica: 8
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -147.613391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.613391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.613391 (E_RNA)
where:
Base-Base interactions energy: -99.643
where: short stacking energy: -29.829
Base-Backbone interact. energy: -0.263
local terms energy: -47.707896
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -6.151
tors. eta vs tors. theta energy: -7.829
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: 2
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -115.924278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.924278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.924278 (E_RNA)
where:
Base-Base interactions energy: -81.527
where: short stacking energy: -32.515
Base-Backbone interact. energy: -0.042
local terms energy: -34.354991
where:
bonds (distance) C4'-P energy: -3.921
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -8.661
flat angles P-C4'-P energy: -5.458
tors. eta vs tors. theta energy: -3.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -71.970142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.970142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.970142 (E_RNA)
where:
Base-Base interactions energy: -24.852
where: short stacking energy: -18.734
Base-Backbone interact. energy: -0.001
local terms energy: -47.117600
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -5.665
tors. eta vs tors. theta energy: -3.914
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: 5, replica: 4
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -74.370615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.370615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.370615 (E_RNA)
where:
Base-Base interactions energy: -35.092
where: short stacking energy: -24.498
Base-Backbone interact. energy: -0.117
local terms energy: -39.162226
where:
bonds (distance) C4'-P energy: -8.004
bonds (distance) P-C4' energy: -11.236
flat angles C4'-P-C4' energy: -8.645
flat angles P-C4'-P energy: -3.464
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -66.280798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.280798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.280798 (E_RNA)
where:
Base-Base interactions energy: -28.087
where: short stacking energy: -17.505
Base-Backbone interact. energy: -0.005
local terms energy: -38.189110
where:
bonds (distance) C4'-P energy: -9.246
bonds (distance) P-C4' energy: -8.969
flat angles C4'-P-C4' energy: -9.347
flat angles P-C4'-P energy: -5.285
tors. eta vs tors. theta energy: -5.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -64.343703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.343703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.343703 (E_RNA)
where:
Base-Base interactions energy: -24.220
where: short stacking energy: -19.164
Base-Backbone interact. energy: 0.552
local terms energy: -40.675286
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -7.214
tors. eta vs tors. theta energy: -0.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -65.056258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.056258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.056258 (E_RNA)
where:
Base-Base interactions energy: -31.113
where: short stacking energy: -8.385
Base-Backbone interact. energy: -0.592
local terms energy: -33.351984
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -11.326
flat angles C4'-P-C4' energy: -9.103
flat angles P-C4'-P energy: -5.913
tors. eta vs tors. theta energy: 3.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -59.881216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.881216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.881216 (E_RNA)
where:
Base-Base interactions energy: -16.706
where: short stacking energy: -16.706
Base-Backbone interact. energy: -0.097
local terms energy: -43.077639
where:
bonds (distance) C4'-P energy: -11.340
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -8.846
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -2.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -52.930777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.930777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.930777 (E_RNA)
where:
Base-Base interactions energy: -22.045
where: short stacking energy: -15.166
Base-Backbone interact. energy: -0.074
local terms energy: -30.812081
where:
bonds (distance) C4'-P energy: -8.019
bonds (distance) P-C4' energy: -9.616
flat angles C4'-P-C4' energy: -8.403
flat angles P-C4'-P energy: -3.192
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: 3
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -130.477439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.477439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.477439 (E_RNA)
where:
Base-Base interactions energy: -82.555
where: short stacking energy: -37.175
Base-Backbone interact. energy: -0.193
local terms energy: -47.729856
where:
bonds (distance) C4'-P energy: -8.480
bonds (distance) P-C4' energy: -10.020
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -10.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -127.400209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.400209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.400209 (E_RNA)
where:
Base-Base interactions energy: -85.964
where: short stacking energy: -25.497
Base-Backbone interact. energy: -0.308
local terms energy: -41.127659
where:
bonds (distance) C4'-P energy: -9.688
bonds (distance) P-C4' energy: -11.224
flat angles C4'-P-C4' energy: -8.924
flat angles P-C4'-P energy: -6.809
tors. eta vs tors. theta energy: -4.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -89.225210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.225210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.225210 (E_RNA)
where:
Base-Base interactions energy: -44.291
where: short stacking energy: -31.830
Base-Backbone interact. energy: 0.087
local terms energy: -45.021151
where:
bonds (distance) C4'-P energy: -9.998
bonds (distance) P-C4' energy: -10.020
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: -6.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -79.619423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.619423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.619423 (E_RNA)
where:
Base-Base interactions energy: -34.396
where: short stacking energy: -27.887
Base-Backbone interact. energy: -0.667
local terms energy: -44.556603
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -8.657
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -2.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -82.682541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.682541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.682541 (E_RNA)
where:
Base-Base interactions energy: -45.836
where: short stacking energy: -25.618
Base-Backbone interact. energy: -0.220
local terms energy: -36.626723
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -7.199
flat angles C4'-P-C4' energy: -6.143
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -3.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -71.314760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.314760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.314760 (E_RNA)
where:
Base-Base interactions energy: -31.019
where: short stacking energy: -31.019
Base-Backbone interact. energy: -0.000
local terms energy: -40.295360
where:
bonds (distance) C4'-P energy: -8.937
bonds (distance) P-C4' energy: -9.781
flat angles C4'-P-C4' energy: -4.932
flat angles P-C4'-P energy: -5.362
tors. eta vs tors. theta energy: -11.284
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: 7, replica: 5
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -64.647509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.647509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.647509 (E_RNA)
where:
Base-Base interactions energy: -23.199
where: short stacking energy: -10.198
Base-Backbone interact. energy: -0.810
local terms energy: -40.638009
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -9.592
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: 1.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -61.943273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.943273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.943273 (E_RNA)
where:
Base-Base interactions energy: -19.292
where: short stacking energy: -19.292
Base-Backbone interact. energy: -0.098
local terms energy: -42.552953
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -11.041
flat angles C4'-P-C4' energy: -8.703
flat angles P-C4'-P energy: -6.072
tors. eta vs tors. theta energy: -6.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -59.058292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.058292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.058292 (E_RNA)
where:
Base-Base interactions energy: -14.704
where: short stacking energy: -14.704
Base-Backbone interact. energy: -0.174
local terms energy: -44.180191
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -10.062
flat angles C4'-P-C4' energy: -9.737
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: -5.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -61.194202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.194202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.194202 (E_RNA)
where:
Base-Base interactions energy: -23.574
where: short stacking energy: -11.624
Base-Backbone interact. energy: -0.621
local terms energy: -36.998938
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -10.644
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -4.151
tors. eta vs tors. theta energy: 1.435
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: 3
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -126.177264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.177264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.177264 (E_RNA)
where:
Base-Base interactions energy: -71.085
where: short stacking energy: -43.859
Base-Backbone interact. energy: -0.000
local terms energy: -55.091935
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -5.807
tors. eta vs tors. theta energy: -12.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -86.466300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.466300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.466300 (E_RNA)
where:
Base-Base interactions energy: -39.419
where: short stacking energy: -37.314
Base-Backbone interact. energy: -0.001
local terms energy: -47.046366
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -9.647
flat angles C4'-P-C4' energy: -10.545
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -8.436
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: 8
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -119.980068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.980068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.980068 (E_RNA)
where:
Base-Base interactions energy: -72.636
where: short stacking energy: -29.915
Base-Backbone interact. energy: -0.034
local terms energy: -47.310216
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -10.604
flat angles C4'-P-C4' energy: -10.291
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -7.511
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: 1
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -104.482730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.482730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.482730 (E_RNA)
where:
Base-Base interactions energy: -58.895
where: short stacking energy: -31.598
Base-Backbone interact. energy: -1.244
local terms energy: -44.344014
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -9.933
flat angles C4'-P-C4' energy: -10.819
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -3.276
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: 2
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -70.616490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.616490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.616490 (E_RNA)
where:
Base-Base interactions energy: -30.864
where: short stacking energy: -21.468
Base-Backbone interact. energy: -0.077
local terms energy: -39.676021
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -11.814
flat angles C4'-P-C4' energy: -5.695
flat angles P-C4'-P energy: -4.860
tors. eta vs tors. theta energy: -5.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -79.685164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.685164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.685164 (E_RNA)
where:
Base-Base interactions energy: -40.637
where: short stacking energy: -25.873
Base-Backbone interact. energy: -0.001
local terms energy: -39.047531
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -9.381
flat angles C4'-P-C4' energy: -8.300
flat angles P-C4'-P energy: -3.508
tors. eta vs tors. theta energy: -6.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -62.243716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.243716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.243716 (E_RNA)
where:
Base-Base interactions energy: -22.337
where: short stacking energy: -22.337
Base-Backbone interact. energy: -0.167
local terms energy: -39.740004
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -9.977
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -0.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -62.840043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.840043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.840043 (E_RNA)
where:
Base-Base interactions energy: -34.370
where: short stacking energy: -12.926
Base-Backbone interact. energy: -0.623
local terms energy: -27.846302
where:
bonds (distance) C4'-P energy: -10.019
bonds (distance) P-C4' energy: -10.842
flat angles C4'-P-C4' energy: -6.526
flat angles P-C4'-P energy: -4.231
tors. eta vs tors. theta energy: 3.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -56.551899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.551899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.551899 (E_RNA)
where:
Base-Base interactions energy: -23.103
where: short stacking energy: -14.252
Base-Backbone interact. energy: -0.025
local terms energy: -33.423761
where:
bonds (distance) C4'-P energy: -8.223
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -6.928
flat angles P-C4'-P energy: -1.895
tors. eta vs tors. theta energy: -3.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -59.408765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.408765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.408765 (E_RNA)
where:
Base-Base interactions energy: -34.248
where: short stacking energy: -18.991
Base-Backbone interact. energy: 1.229
local terms energy: -26.389689
where:
bonds (distance) C4'-P energy: -7.623
bonds (distance) P-C4' energy: -1.895
flat angles C4'-P-C4' energy: -7.701
flat angles P-C4'-P energy: -9.464
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: 1, replica: 9
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -103.485972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.485972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.485972 (E_RNA)
where:
Base-Base interactions energy: -56.435
where: short stacking energy: -37.632
Base-Backbone interact. energy: -0.003
local terms energy: -47.048495
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -9.612
flat angles C4'-P-C4' energy: -10.754
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -6.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -116.312893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.312893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.312893 (E_RNA)
where:
Base-Base interactions energy: -68.376
where: short stacking energy: -31.135
Base-Backbone interact. energy: -0.316
local terms energy: -47.620704
where:
bonds (distance) C4'-P energy: -9.238
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -7.842
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -10.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -120.396601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.396601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.396601 (E_RNA)
where:
Base-Base interactions energy: -76.723
where: short stacking energy: -26.278
Base-Backbone interact. energy: -0.096
local terms energy: -43.578087
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -8.972
flat angles P-C4'-P energy: -6.675
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: 4, replica: 1
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -86.968158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.968158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.968158 (E_RNA)
where:
Base-Base interactions energy: -46.886
where: short stacking energy: -21.117
Base-Backbone interact. energy: -0.038
local terms energy: -40.043831
where:
bonds (distance) C4'-P energy: -7.900
bonds (distance) P-C4' energy: -10.793
flat angles C4'-P-C4' energy: -9.980
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -2.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -71.336996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.336996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.336996 (E_RNA)
where:
Base-Base interactions energy: -35.015
where: short stacking energy: -22.812
Base-Backbone interact. energy: -0.013
local terms energy: -36.308932
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: 0.259
tors. eta vs tors. theta energy: -2.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -76.504976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.504976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.504976 (E_RNA)
where:
Base-Base interactions energy: -29.302
where: short stacking energy: -16.574
Base-Backbone interact. energy: 0.537
local terms energy: -47.740649
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -6.348
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: 7
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -66.939831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.939831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.939831 (E_RNA)
where:
Base-Base interactions energy: -35.854
where: short stacking energy: -18.160
Base-Backbone interact. energy: -0.108
local terms energy: -30.978025
where:
bonds (distance) C4'-P energy: -7.438
bonds (distance) P-C4' energy: -11.242
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: 3.599
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: 8, replica: 5
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -56.407971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.407971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.407971 (E_RNA)
where:
Base-Base interactions energy: -24.706
where: short stacking energy: -21.014
Base-Backbone interact. energy: -0.830
local terms energy: -30.871908
where:
bonds (distance) C4'-P energy: -9.025
bonds (distance) P-C4' energy: -11.252
flat angles C4'-P-C4' energy: -5.301
flat angles P-C4'-P energy: -4.762
tors. eta vs tors. theta energy: -0.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -53.993266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.993266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.993266 (E_RNA)
where:
Base-Base interactions energy: -8.044
where: short stacking energy: -8.044
Base-Backbone interact. energy: -0.000
local terms energy: -45.948399
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -5.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -55.510259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.510259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.510259 (E_RNA)
where:
Base-Base interactions energy: -16.246
where: short stacking energy: -13.377
Base-Backbone interact. energy: 1.469
local terms energy: -40.733312
where:
bonds (distance) C4'-P energy: -11.109
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -5.475
tors. eta vs tors. theta energy: 1.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -119.540219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.540219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.540219 (E_RNA)
where:
Base-Base interactions energy: -68.337
where: short stacking energy: -41.604
Base-Backbone interact. energy: -0.108
local terms energy: -51.094613
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -9.538
flat angles C4'-P-C4' energy: -11.149
flat angles P-C4'-P energy: -9.331
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: 2, replica: 8
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -120.084309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.084309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.084309 (E_RNA)
where:
Base-Base interactions energy: -73.143
where: short stacking energy: -28.590
Base-Backbone interact. energy: -0.020
local terms energy: -46.921059
where:
bonds (distance) C4'-P energy: -10.328
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -7.596
flat angles P-C4'-P energy: -5.209
tors. eta vs tors. theta energy: -11.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -118.361287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.361287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.361287 (E_RNA)
where:
Base-Base interactions energy: -68.650
where: short stacking energy: -34.850
Base-Backbone interact. energy: 0.096
local terms energy: -49.807801
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -5.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -104.319257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.319257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.319257 (E_RNA)
where:
Base-Base interactions energy: -58.122
where: short stacking energy: -30.468
Base-Backbone interact. energy: -0.240
local terms energy: -45.957377
where:
bonds (distance) C4'-P energy: -7.163
bonds (distance) P-C4' energy: -10.824
flat angles C4'-P-C4' energy: -8.878
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -8.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -58.525788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.525788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.525788 (E_RNA)
where:
Base-Base interactions energy: -17.122
where: short stacking energy: -17.122
Base-Backbone interact. energy: -0.036
local terms energy: -41.367759
where:
bonds (distance) C4'-P energy: -9.147
bonds (distance) P-C4' energy: -10.610
flat angles C4'-P-C4' energy: -10.201
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -2.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -68.422830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.422830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.422830 (E_RNA)
where:
Base-Base interactions energy: -23.436
where: short stacking energy: -7.828
Base-Backbone interact. energy: -0.161
local terms energy: -44.825453
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -11.201
flat angles C4'-P-C4' energy: -9.516
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: -6.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -63.129202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.129202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.129202 (E_RNA)
where:
Base-Base interactions energy: -19.573
where: short stacking energy: -15.550
Base-Backbone interact. energy: -0.035
local terms energy: -43.521671
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -3.838
tors. eta vs tors. theta energy: -2.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -66.363467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.363467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.363467 (E_RNA)
where:
Base-Base interactions energy: -24.740
where: short stacking energy: -24.740
Base-Backbone interact. energy: -0.026
local terms energy: -41.596913
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -7.527
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -5.990
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: 9, replica: 5
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -55.727031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.727031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.727031 (E_RNA)
where:
Base-Base interactions energy: -15.053
where: short stacking energy: -15.053
Base-Backbone interact. energy: -0.429
local terms energy: -40.245400
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -9.545
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -3.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -61.407756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.407756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.407756 (E_RNA)
where:
Base-Base interactions energy: -29.603
where: short stacking energy: -22.101
Base-Backbone interact. energy: -0.489
local terms energy: -31.315585
where:
bonds (distance) C4'-P energy: -7.893
bonds (distance) P-C4' energy: -10.809
flat angles C4'-P-C4' energy: -7.443
flat angles P-C4'-P energy: -1.615
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: 1, replica: 8
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -118.112622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.112622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.112622 (E_RNA)
where:
Base-Base interactions energy: -71.792
where: short stacking energy: -35.764
Base-Backbone interact. energy: -0.141
local terms energy: -46.179422
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -7.392
flat angles P-C4'-P energy: -9.106
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: 2, replica: 9
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -97.883647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.883647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.883647 (E_RNA)
where:
Base-Base interactions energy: -53.841
where: short stacking energy: -26.209
Base-Backbone interact. energy: -0.038
local terms energy: -44.003794
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -10.381
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -0.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -105.234683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.234683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.234683 (E_RNA)
where:
Base-Base interactions energy: -56.885
where: short stacking energy: -29.415
Base-Backbone interact. energy: -0.066
local terms energy: -48.283541
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -6.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -80.471217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.471217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.471217 (E_RNA)
where:
Base-Base interactions energy: -37.416
where: short stacking energy: -22.396
Base-Backbone interact. energy: -0.095
local terms energy: -42.960893
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -8.520
flat angles P-C4'-P energy: -4.144
tors. eta vs tors. theta energy: -7.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -66.215364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.215364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.215364 (E_RNA)
where:
Base-Base interactions energy: -27.071
where: short stacking energy: -19.840
Base-Backbone interact. energy: -0.017
local terms energy: -39.126467
where:
bonds (distance) C4'-P energy: -8.615
bonds (distance) P-C4' energy: -11.830
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -5.841
tors. eta vs tors. theta energy: -0.699
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: 4
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -66.416584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.416584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.416584 (E_RNA)
where:
Base-Base interactions energy: -25.244
where: short stacking energy: -25.244
Base-Backbone interact. energy: -0.096
local terms energy: -41.076605
where:
bonds (distance) C4'-P energy: -7.810
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -8.281
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -5.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -60.877711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.877711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.877711 (E_RNA)
where:
Base-Base interactions energy: -25.018
where: short stacking energy: -24.788
Base-Backbone interact. energy: -0.092
local terms energy: -35.766944
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -10.039
flat angles C4'-P-C4' energy: -5.744
flat angles P-C4'-P energy: -4.789
tors. eta vs tors. theta energy: -2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -64.422426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.422426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.422426 (E_RNA)
where:
Base-Base interactions energy: -34.613
where: short stacking energy: -19.988
Base-Backbone interact. energy: -0.125
local terms energy: -29.685021
where:
bonds (distance) C4'-P energy: -5.392
bonds (distance) P-C4' energy: -9.668
flat angles C4'-P-C4' energy: -9.624
flat angles P-C4'-P energy: -5.444
tors. eta vs tors. theta energy: 0.442
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: 9, replica: 6
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -60.958651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.958651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.958651 (E_RNA)
where:
Base-Base interactions energy: -27.687
where: short stacking energy: -10.238
Base-Backbone interact. energy: -0.118
local terms energy: -33.153523
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -4.612
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: 0.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -54.795978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.795978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.795978 (E_RNA)
where:
Base-Base interactions energy: -17.117
where: short stacking energy: -16.258
Base-Backbone interact. energy: -0.078
local terms energy: -37.600788
where:
bonds (distance) C4'-P energy: -9.404
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -7.784
flat angles P-C4'-P energy: -4.996
tors. eta vs tors. theta energy: -1.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -119.680111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.680111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.680111 (E_RNA)
where:
Base-Base interactions energy: -74.506
where: short stacking energy: -33.643
Base-Backbone interact. energy: -0.017
local terms energy: -45.156960
where:
bonds (distance) C4'-P energy: -9.763
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -5.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -108.286470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.286470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.286470 (E_RNA)
where:
Base-Base interactions energy: -59.888
where: short stacking energy: -34.776
Base-Backbone interact. energy: -2.046
local terms energy: -46.352792
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -10.604
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -7.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -111.621833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.621833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.621833 (E_RNA)
where:
Base-Base interactions energy: -67.048
where: short stacking energy: -25.556
Base-Backbone interact. energy: -0.359
local terms energy: -44.214878
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -10.107
flat angles C4'-P-C4' energy: -8.732
flat angles P-C4'-P energy: -4.053
tors. eta vs tors. theta energy: -9.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -79.512606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.512606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.512606 (E_RNA)
where:
Base-Base interactions energy: -30.448
where: short stacking energy: -25.381
Base-Backbone interact. energy: -0.001
local terms energy: -49.063415
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -5.833
tors. eta vs tors. theta energy: -8.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -70.858092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.858092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.858092 (E_RNA)
where:
Base-Base interactions energy: -34.986
where: short stacking energy: -25.591
Base-Backbone interact. energy: -0.004
local terms energy: -35.868692
where:
bonds (distance) C4'-P energy: -7.507
bonds (distance) P-C4' energy: -11.522
flat angles C4'-P-C4' energy: -10.625
flat angles P-C4'-P energy: -3.292
tors. eta vs tors. theta energy: -2.924
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: 6, replica: 2
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -73.090226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.090226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.090226 (E_RNA)
where:
Base-Base interactions energy: -30.652
where: short stacking energy: -23.277
Base-Backbone interact. energy: -0.012
local terms energy: -42.425686
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -11.330
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -0.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -59.944693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.944693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.944693 (E_RNA)
where:
Base-Base interactions energy: -28.540
where: short stacking energy: -18.516
Base-Backbone interact. energy: -0.130
local terms energy: -31.274814
where:
bonds (distance) C4'-P energy: -7.565
bonds (distance) P-C4' energy: -10.640
flat angles C4'-P-C4' energy: -7.172
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: 1.255
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: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -55.474661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.474661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.474661 (E_RNA)
where:
Base-Base interactions energy: -17.812
where: short stacking energy: -17.394
Base-Backbone interact. energy: -0.007
local terms energy: -37.655276
where:
bonds (distance) C4'-P energy: -8.634
bonds (distance) P-C4' energy: -7.636
flat angles C4'-P-C4' energy: -8.826
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -3.257
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: 10
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -57.602085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.602085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.602085 (E_RNA)
where:
Base-Base interactions energy: -18.613
where: short stacking energy: -17.756
Base-Backbone interact. energy: -0.038
local terms energy: -38.951222
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -5.805
flat angles C4'-P-C4' energy: -10.268
flat angles P-C4'-P energy: -5.832
tors. eta vs tors. theta energy: -5.126
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: 5
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -57.701177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.701177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.701177 (E_RNA)
where:
Base-Base interactions energy: -21.958
where: short stacking energy: -21.305
Base-Backbone interact. energy: -0.179
local terms energy: -35.563972
where:
bonds (distance) C4'-P energy: -9.902
bonds (distance) P-C4' energy: -6.747
flat angles C4'-P-C4' energy: -8.711
flat angles P-C4'-P energy: -4.571
tors. eta vs tors. theta energy: -5.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -116.933962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.933962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.933962 (E_RNA)
where:
Base-Base interactions energy: -71.532
where: short stacking energy: -30.792
Base-Backbone interact. energy: -0.078
local terms energy: -45.324491
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -9.316
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -5.333
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: 1
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -110.283213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.283213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.283213 (E_RNA)
where:
Base-Base interactions energy: -69.468
where: short stacking energy: -26.438
Base-Backbone interact. energy: -0.376
local terms energy: -40.438918
where:
bonds (distance) C4'-P energy: -8.857
bonds (distance) P-C4' energy: -10.509
flat angles C4'-P-C4' energy: -9.403
flat angles P-C4'-P energy: -4.169
tors. eta vs tors. theta energy: -7.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -113.071796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.071796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.071796 (E_RNA)
where:
Base-Base interactions energy: -67.773
where: short stacking energy: -33.099
Base-Backbone interact. energy: -0.002
local terms energy: -45.296412
where:
bonds (distance) C4'-P energy: -8.066
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -9.190
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -8.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -74.506181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.506181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.506181 (E_RNA)
where:
Base-Base interactions energy: -35.186
where: short stacking energy: -24.709
Base-Backbone interact. energy: -0.162
local terms energy: -39.157629
where:
bonds (distance) C4'-P energy: -9.206
bonds (distance) P-C4' energy: -9.833
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -3.333
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: 5, replica: 2
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -67.813551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.813551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.813551 (E_RNA)
where:
Base-Base interactions energy: -29.418
where: short stacking energy: -19.753
Base-Backbone interact. energy: -0.273
local terms energy: -38.122462
where:
bonds (distance) C4'-P energy: -8.998
bonds (distance) P-C4' energy: -9.453
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -1.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -76.298581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.298581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.298581 (E_RNA)
where:
Base-Base interactions energy: -43.633
where: short stacking energy: -22.962
Base-Backbone interact. energy: -0.070
local terms energy: -32.596039
where:
bonds (distance) C4'-P energy: -6.985
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -0.225
tors. eta vs tors. theta energy: -2.659
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: 7, replica: 6
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -69.524139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.524139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.524139 (E_RNA)
where:
Base-Base interactions energy: -33.397
where: short stacking energy: -21.676
Base-Backbone interact. energy: -0.068
local terms energy: -36.059373
where:
bonds (distance) C4'-P energy: -9.830
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -7.054
flat angles P-C4'-P energy: -5.695
tors. eta vs tors. theta energy: -1.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -65.356310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.356310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.356310 (E_RNA)
where:
Base-Base interactions energy: -22.121
where: short stacking energy: -17.609
Base-Backbone interact. energy: -0.131
local terms energy: -43.105193
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -8.280
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -6.214
tors. eta vs tors. theta energy: -5.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -59.334100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.334100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.334100 (E_RNA)
where:
Base-Base interactions energy: -32.532
where: short stacking energy: -15.530
Base-Backbone interact. energy: 0.507
local terms energy: -27.308942
where:
bonds (distance) C4'-P energy: -5.983
bonds (distance) P-C4' energy: -7.186
flat angles C4'-P-C4' energy: -6.364
flat angles P-C4'-P energy: -4.418
tors. eta vs tors. theta energy: -3.358
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: 10, replica: 10
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -50.975279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.975279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.975279 (E_RNA)
where:
Base-Base interactions energy: -24.590
where: short stacking energy: -8.658
Base-Backbone interact. energy: -0.312
local terms energy: -26.073306
where:
bonds (distance) C4'-P energy: -7.346
bonds (distance) P-C4' energy: -9.691
flat angles C4'-P-C4' energy: -3.631
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: 1.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -109.572860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.572860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.572860 (E_RNA)
where:
Base-Base interactions energy: -59.667
where: short stacking energy: -44.918
Base-Backbone interact. energy: 0.294
local terms energy: -50.199526
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -10.044
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -7.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -110.478749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.478749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.478749 (E_RNA)
where:
Base-Base interactions energy: -59.797
where: short stacking energy: -36.365
Base-Backbone interact. energy: -0.445
local terms energy: -50.237412
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -11.140
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -5.645
tors. eta vs tors. theta energy: -10.465
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: 1
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -112.343265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.343265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.343265 (E_RNA)
where:
Base-Base interactions energy: -68.003
where: short stacking energy: -28.361
Base-Backbone interact. energy: -0.152
local terms energy: -44.187985
where:
bonds (distance) C4'-P energy: -8.191
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -4.204
tors. eta vs tors. theta energy: -8.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -79.923745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.923745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.923745 (E_RNA)
where:
Base-Base interactions energy: -39.508
where: short stacking energy: -11.250
Base-Backbone interact. energy: -0.644
local terms energy: -39.771710
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -9.876
flat angles P-C4'-P energy: -4.504
tors. eta vs tors. theta energy: -1.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -86.452783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.452783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.452783 (E_RNA)
where:
Base-Base interactions energy: -38.347
where: short stacking energy: -26.608
Base-Backbone interact. energy: -0.045
local terms energy: -48.060027
where:
bonds (distance) C4'-P energy: -9.585
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -5.706
tors. eta vs tors. theta energy: -8.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -68.948778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.948778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.948778 (E_RNA)
where:
Base-Base interactions energy: -25.916
where: short stacking energy: -15.062
Base-Backbone interact. energy: 0.123
local terms energy: -43.155523
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -10.858
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -0.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -64.828911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.828911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.828911 (E_RNA)
where:
Base-Base interactions energy: -27.928
where: short stacking energy: -15.185
Base-Backbone interact. energy: -0.124
local terms energy: -36.776924
where:
bonds (distance) C4'-P energy: -9.500
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -6.055
tors. eta vs tors. theta energy: 2.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -71.229931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.229931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.229931 (E_RNA)
where:
Base-Base interactions energy: -32.582
where: short stacking energy: -26.139
Base-Backbone interact. energy: -0.008
local terms energy: -38.640437
where:
bonds (distance) C4'-P energy: -5.474
bonds (distance) P-C4' energy: -10.348
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -3.475
tors. eta vs tors. theta energy: -7.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -62.522377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.522377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.522377 (E_RNA)
where:
Base-Base interactions energy: -31.051
where: short stacking energy: -23.027
Base-Backbone interact. energy: -0.062
local terms energy: -31.409608
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -8.884
flat angles C4'-P-C4' energy: -5.883
flat angles P-C4'-P energy: -4.736
tors. eta vs tors. theta energy: -7.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -68.883739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.883739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.883739 (E_RNA)
where:
Base-Base interactions energy: -34.451
where: short stacking energy: -25.030
Base-Backbone interact. energy: -0.004
local terms energy: -34.428361
where:
bonds (distance) C4'-P energy: -8.522
bonds (distance) P-C4' energy: -11.634
flat angles C4'-P-C4' energy: -7.619
flat angles P-C4'-P energy: -3.142
tors. eta vs tors. theta energy: -3.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -129.651664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.651664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.651664 (E_RNA)
where:
Base-Base interactions energy: -77.635
where: short stacking energy: -38.931
Base-Backbone interact. energy: -1.087
local terms energy: -50.929673
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -10.347
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: -12.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -110.853894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.853894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.853894 (E_RNA)
where:
Base-Base interactions energy: -65.778
where: short stacking energy: -34.131
Base-Backbone interact. energy: -0.226
local terms energy: -44.849612
where:
bonds (distance) C4'-P energy: -7.246
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -5.916
tors. eta vs tors. theta energy: -9.500
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: 3, replica: 1
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -78.200441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.200441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.200441 (E_RNA)
where:
Base-Base interactions energy: -43.324
where: short stacking energy: -23.652
Base-Backbone interact. energy: -0.184
local terms energy: -34.691511
where:
bonds (distance) C4'-P energy: -9.213
bonds (distance) P-C4' energy: -7.172
flat angles C4'-P-C4' energy: -8.011
flat angles P-C4'-P energy: -3.344
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: 4, replica: 2
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -75.680889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.680889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.680889 (E_RNA)
where:
Base-Base interactions energy: -32.223
where: short stacking energy: -10.730
Base-Backbone interact. energy: -0.638
local terms energy: -42.820304
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -10.575
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -1.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -83.442422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.442422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.442422 (E_RNA)
where:
Base-Base interactions energy: -36.206
where: short stacking energy: -25.843
Base-Backbone interact. energy: -0.148
local terms energy: -47.088429
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -11.772
flat angles C4'-P-C4' energy: -11.046
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -4.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -86.264916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.264916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.264916 (E_RNA)
where:
Base-Base interactions energy: -48.096
where: short stacking energy: -28.396
Base-Backbone interact. energy: -0.379
local terms energy: -37.789449
where:
bonds (distance) C4'-P energy: -9.238
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -5.154
flat angles P-C4'-P energy: -3.168
tors. eta vs tors. theta energy: -8.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -63.885629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.885629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.885629 (E_RNA)
where:
Base-Base interactions energy: -32.194
where: short stacking energy: -16.198
Base-Backbone interact. energy: 0.358
local terms energy: -32.049527
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -10.484
flat angles C4'-P-C4' energy: -7.967
flat angles P-C4'-P energy: -0.311
tors. eta vs tors. theta energy: -3.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -64.840245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.840245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.840245 (E_RNA)
where:
Base-Base interactions energy: -26.344
where: short stacking energy: -10.823
Base-Backbone interact. energy: -0.121
local terms energy: -38.374892
where:
bonds (distance) C4'-P energy: -9.665
bonds (distance) P-C4' energy: -9.257
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -7.277
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: 9, replica: 10
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -57.489076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.489076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.489076 (E_RNA)
where:
Base-Base interactions energy: -21.227
where: short stacking energy: -18.182
Base-Backbone interact. energy: -0.109
local terms energy: -36.153203
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -10.134
flat angles C4'-P-C4' energy: -4.781
flat angles P-C4'-P energy: -6.547
tors. eta vs tors. theta energy: -1.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -57.975694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.975694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.975694 (E_RNA)
where:
Base-Base interactions energy: -18.826
where: short stacking energy: -18.826
Base-Backbone interact. energy: -0.153
local terms energy: -38.995955
where:
bonds (distance) C4'-P energy: -8.456
bonds (distance) P-C4' energy: -9.551
flat angles C4'-P-C4' energy: -10.008
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -2.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -130.293036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.293036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.293036 (E_RNA)
where:
Base-Base interactions energy: -78.635
where: short stacking energy: -35.082
Base-Backbone interact. energy: -0.065
local terms energy: -51.592313
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -9.910
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -11.803
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: 8
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -110.051831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.051831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.051831 (E_RNA)
where:
Base-Base interactions energy: -69.281
where: short stacking energy: -24.484
Base-Backbone interact. energy: -0.276
local terms energy: -40.495210
where:
bonds (distance) C4'-P energy: -9.392
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -10.461
flat angles P-C4'-P energy: -3.457
tors. eta vs tors. theta energy: -5.499
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: 1
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -91.671257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.671257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.671257 (E_RNA)
where:
Base-Base interactions energy: -40.359
where: short stacking energy: -38.876
Base-Backbone interact. energy: -0.036
local terms energy: -51.275957
where:
bonds (distance) C4'-P energy: -8.499
bonds (distance) P-C4' energy: -9.526
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -13.139
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: 2
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -83.217011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.217011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.217011 (E_RNA)
where:
Base-Base interactions energy: -46.930
where: short stacking energy: -24.671
Base-Backbone interact. energy: -0.723
local terms energy: -35.564773
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -11.383
flat angles C4'-P-C4' energy: -4.713
flat angles P-C4'-P energy: -6.055
tors. eta vs tors. theta energy: -1.335
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: 6
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -76.287282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.287282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.287282 (E_RNA)
where:
Base-Base interactions energy: -45.101
where: short stacking energy: -13.711
Base-Backbone interact. energy: -0.321
local terms energy: -30.865401
where:
bonds (distance) C4'-P energy: -8.410
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -6.766
flat angles P-C4'-P energy: -4.510
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: 6, replica: 5
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -72.279464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.279464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.279464 (E_RNA)
where:
Base-Base interactions energy: -38.226
where: short stacking energy: -24.443
Base-Backbone interact. energy: -0.068
local terms energy: -33.985450
where:
bonds (distance) C4'-P energy: -6.877
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -6.540
flat angles P-C4'-P energy: -3.429
tors. eta vs tors. theta energy: -6.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -61.043649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.043649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.043649 (E_RNA)
where:
Base-Base interactions energy: -26.428
where: short stacking energy: -17.519
Base-Backbone interact. energy: 0.555
local terms energy: -35.170194
where:
bonds (distance) C4'-P energy: -5.213
bonds (distance) P-C4' energy: -8.109
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -2.546
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: 3
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -61.509721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.509721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.509721 (E_RNA)
where:
Base-Base interactions energy: -23.696
where: short stacking energy: -15.583
Base-Backbone interact. energy: -0.156
local terms energy: -37.657512
where:
bonds (distance) C4'-P energy: -8.997
bonds (distance) P-C4' energy: -11.567
flat angles C4'-P-C4' energy: -8.927
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -1.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -54.755931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.755931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.755931 (E_RNA)
where:
Base-Base interactions energy: -14.966
where: short stacking energy: -14.966
Base-Backbone interact. energy: -0.039
local terms energy: -39.750947
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -10.337
flat angles C4'-P-C4' energy: -10.201
flat angles P-C4'-P energy: -6.272
tors. eta vs tors. theta energy: -0.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -53.435436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.435436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.435436 (E_RNA)
where:
Base-Base interactions energy: -18.626
where: short stacking energy: -13.831
Base-Backbone interact. energy: -0.012
local terms energy: -34.797267
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -4.319
flat angles P-C4'-P energy: -6.800
tors. eta vs tors. theta energy: 0.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -126.847464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.847464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.847464 (E_RNA)
where:
Base-Base interactions energy: -77.989
where: short stacking energy: -43.243
Base-Backbone interact. energy: -0.417
local terms energy: -48.440777
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -7.489
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: 356
Temperature: 0.950000
Total energy: -114.944798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.944798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.944798 (E_RNA)
where:
Base-Base interactions energy: -65.810
where: short stacking energy: -24.653
Base-Backbone interact. energy: -0.068
local terms energy: -49.067319
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -8.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -94.055850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.055850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.055850 (E_RNA)
where:
Base-Base interactions energy: -45.297
where: short stacking energy: -29.165
Base-Backbone interact. energy: -0.157
local terms energy: -48.601981
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -5.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -71.137660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.137660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.137660 (E_RNA)
where:
Base-Base interactions energy: -27.666
where: short stacking energy: -27.666
Base-Backbone interact. energy: -0.062
local terms energy: -43.409654
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -9.997
flat angles P-C4'-P energy: -6.915
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: 5, replica: 5
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -80.674727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.674727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.674727 (E_RNA)
where:
Base-Base interactions energy: -46.642
where: short stacking energy: -19.839
Base-Backbone interact. energy: 2.478
local terms energy: -36.510226
where:
bonds (distance) C4'-P energy: -10.284
bonds (distance) P-C4' energy: -4.871
flat angles C4'-P-C4' energy: -10.852
flat angles P-C4'-P energy: -6.471
tors. eta vs tors. theta energy: -4.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -67.190252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.190252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.190252 (E_RNA)
where:
Base-Base interactions energy: -27.271
where: short stacking energy: -26.724
Base-Backbone interact. energy: -0.205
local terms energy: -39.714028
where:
bonds (distance) C4'-P energy: -9.631
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -10.459
flat angles P-C4'-P energy: -3.792
tors. eta vs tors. theta energy: -5.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -83.912832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.912832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.912832 (E_RNA)
where:
Base-Base interactions energy: -43.213
where: short stacking energy: -24.213
Base-Backbone interact. energy: -0.001
local terms energy: -40.698710
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -10.729
flat angles C4'-P-C4' energy: -8.968
flat angles P-C4'-P energy: -5.939
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: 8, replica: 7
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -62.034450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.034450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.034450 (E_RNA)
where:
Base-Base interactions energy: -30.716
where: short stacking energy: -11.670
Base-Backbone interact. energy: -0.090
local terms energy: -31.228306
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -9.235
flat angles C4'-P-C4' energy: -8.714
flat angles P-C4'-P energy: 0.750
tors. eta vs tors. theta energy: -2.808
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: 4
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -59.644443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.644443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.644443 (E_RNA)
where:
Base-Base interactions energy: -15.951
where: short stacking energy: -15.951
Base-Backbone interact. energy: -0.201
local terms energy: -43.491559
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: -10.422
flat angles C4'-P-C4' energy: -8.996
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -4.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -52.245321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.245321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.245321 (E_RNA)
where:
Base-Base interactions energy: -11.219
where: short stacking energy: -10.843
Base-Backbone interact. energy: -0.234
local terms energy: -40.792681
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -8.563
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -0.062
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: 8
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -109.571448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.571448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.571448 (E_RNA)
where:
Base-Base interactions energy: -64.746
where: short stacking energy: -33.273
Base-Backbone interact. energy: -0.128
local terms energy: -44.696828
where:
bonds (distance) C4'-P energy: -9.481
bonds (distance) P-C4' energy: -9.551
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -6.924
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: 357
Temperature: 0.950000
Total energy: -107.334906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.334906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.334906 (E_RNA)
where:
Base-Base interactions energy: -59.230
where: short stacking energy: -30.755
Base-Backbone interact. energy: -0.029
local terms energy: -48.075566
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -9.632
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -7.740
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: 2
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -95.857384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.857384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.857384 (E_RNA)
where:
Base-Base interactions energy: -49.074
where: short stacking energy: -39.774
Base-Backbone interact. energy: 1.187
local terms energy: -47.969810
where:
bonds (distance) C4'-P energy: -9.034
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -9.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -123.003518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.003518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.003518 (E_RNA)
where:
Base-Base interactions energy: -68.386
where: short stacking energy: -40.262
Base-Backbone interact. energy: 0.453
local terms energy: -55.070823
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -10.239
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -12.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -71.855118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.855118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.855118 (E_RNA)
where:
Base-Base interactions energy: -28.644
where: short stacking energy: -28.644
Base-Backbone interact. energy: -0.017
local terms energy: -43.194149
where:
bonds (distance) C4'-P energy: -8.038
bonds (distance) P-C4' energy: -11.291
flat angles C4'-P-C4' energy: -10.123
flat angles P-C4'-P energy: -4.576
tors. eta vs tors. theta energy: -9.167
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: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -77.626730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.626730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.626730 (E_RNA)
where:
Base-Base interactions energy: -46.509
where: short stacking energy: -28.503
Base-Backbone interact. energy: -0.114
local terms energy: -31.004417
where:
bonds (distance) C4'-P energy: -8.777
bonds (distance) P-C4' energy: -7.805
flat angles C4'-P-C4' energy: -6.567
flat angles P-C4'-P energy: -3.880
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: 7, replica: 6
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -71.082266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.082266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.082266 (E_RNA)
where:
Base-Base interactions energy: -24.225
where: short stacking energy: -17.767
Base-Backbone interact. energy: -0.110
local terms energy: -46.747141
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -3.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -60.798808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.798808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.798808 (E_RNA)
where:
Base-Base interactions energy: -28.352
where: short stacking energy: -17.217
Base-Backbone interact. energy: -0.022
local terms energy: -32.424435
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -9.611
flat angles C4'-P-C4' energy: -8.019
flat angles P-C4'-P energy: -5.036
tors. eta vs tors. theta energy: 3.209
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: 4
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -54.740992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.740992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.740992 (E_RNA)
where:
Base-Base interactions energy: -17.393
where: short stacking energy: -16.718
Base-Backbone interact. energy: -0.326
local terms energy: -37.021878
where:
bonds (distance) C4'-P energy: -11.137
bonds (distance) P-C4' energy: -9.892
flat angles C4'-P-C4' energy: -7.304
flat angles P-C4'-P energy: -5.321
tors. eta vs tors. theta energy: -3.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -61.330495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.330495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.330495 (E_RNA)
where:
Base-Base interactions energy: -23.256
where: short stacking energy: -20.187
Base-Backbone interact. energy: -0.101
local terms energy: -37.973800
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -7.731
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: 0.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -126.466150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.466150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.466150 (E_RNA)
where:
Base-Base interactions energy: -70.790
where: short stacking energy: -34.620
Base-Backbone interact. energy: -0.926
local terms energy: -54.750617
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -7.319
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: 2, replica: 9
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -108.226843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.226843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.226843 (E_RNA)
where:
Base-Base interactions energy: -65.641
where: short stacking energy: -25.315
Base-Backbone interact. energy: -0.029
local terms energy: -42.556469
where:
bonds (distance) C4'-P energy: -7.436
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -4.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -123.680647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.680647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.680647 (E_RNA)
where:
Base-Base interactions energy: -80.678
where: short stacking energy: -35.851
Base-Backbone interact. energy: -0.002
local terms energy: -43.001419
where:
bonds (distance) C4'-P energy: -7.657
bonds (distance) P-C4' energy: -10.645
flat angles C4'-P-C4' energy: -7.717
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -8.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -86.424511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.424511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.424511 (E_RNA)
where:
Base-Base interactions energy: -48.978
where: short stacking energy: -24.574
Base-Backbone interact. energy: -0.117
local terms energy: -37.329346
where:
bonds (distance) C4'-P energy: -9.581
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -6.974
flat angles P-C4'-P energy: -4.688
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: 5, replica: 3
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -77.848389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.848389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.848389 (E_RNA)
where:
Base-Base interactions energy: -35.666
where: short stacking energy: -22.256
Base-Backbone interact. energy: -0.086
local terms energy: -42.096333
where:
bonds (distance) C4'-P energy: -9.245
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -8.509
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: -4.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -75.284015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.284015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.284015 (E_RNA)
where:
Base-Base interactions energy: -36.549
where: short stacking energy: -22.923
Base-Backbone interact. energy: -0.007
local terms energy: -38.728442
where:
bonds (distance) C4'-P energy: -9.280
bonds (distance) P-C4' energy: -10.253
flat angles C4'-P-C4' energy: -9.220
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -2.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -61.277565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.277565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.277565 (E_RNA)
where:
Base-Base interactions energy: -22.798
where: short stacking energy: -22.857
Base-Backbone interact. energy: -0.306
local terms energy: -38.173263
where:
bonds (distance) C4'-P energy: -8.997
bonds (distance) P-C4' energy: -7.126
flat angles C4'-P-C4' energy: -10.525
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -64.545089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.545089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.545089 (E_RNA)
where:
Base-Base interactions energy: -29.366
where: short stacking energy: -25.448
Base-Backbone interact. energy: -0.010
local terms energy: -35.169337
where:
bonds (distance) C4'-P energy: -7.031
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -6.961
flat angles P-C4'-P energy: -4.987
tors. eta vs tors. theta energy: -4.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -55.145168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.145168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.145168 (E_RNA)
where:
Base-Base interactions energy: -22.704
where: short stacking energy: -22.434
Base-Backbone interact. energy: 0.048
local terms energy: -32.488528
where:
bonds (distance) C4'-P energy: -5.001
bonds (distance) P-C4' energy: -10.003
flat angles C4'-P-C4' energy: -9.532
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: 0.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -58.782247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.782247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.782247 (E_RNA)
where:
Base-Base interactions energy: -14.910
where: short stacking energy: -11.263
Base-Backbone interact. energy: -0.042
local terms energy: -43.830660
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -9.150
flat angles P-C4'-P energy: -5.914
tors. eta vs tors. theta energy: -5.363
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: 1, replica: 8
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -121.926029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.926029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.926029 (E_RNA)
where:
Base-Base interactions energy: -70.334
where: short stacking energy: -35.055
Base-Backbone interact. energy: -0.001
local terms energy: -51.591578
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -10.573
flat angles P-C4'-P energy: -4.435
tors. eta vs tors. theta energy: -10.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -105.867289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.867289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.867289 (E_RNA)
where:
Base-Base interactions energy: -60.476
where: short stacking energy: -34.820
Base-Backbone interact. energy: -0.175
local terms energy: -45.216117
where:
bonds (distance) C4'-P energy: -8.298
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -6.949
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: 9
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -119.062219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.062219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.062219 (E_RNA)
where:
Base-Base interactions energy: -79.076
where: short stacking energy: -30.838
Base-Backbone interact. energy: -0.033
local terms energy: -39.952999
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -11.331
flat angles C4'-P-C4' energy: -10.442
flat angles P-C4'-P energy: -5.380
tors. eta vs tors. theta energy: -2.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -79.527577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.527577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.527577 (E_RNA)
where:
Base-Base interactions energy: -42.528
where: short stacking energy: -25.727
Base-Backbone interact. energy: -0.107
local terms energy: -36.893066
where:
bonds (distance) C4'-P energy: -9.893
bonds (distance) P-C4' energy: -11.401
flat angles C4'-P-C4' energy: -8.633
flat angles P-C4'-P energy: -4.858
tors. eta vs tors. theta energy: -2.107
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: 2
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -79.122228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.122228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.122228 (E_RNA)
where:
Base-Base interactions energy: -37.692
where: short stacking energy: -21.710
Base-Backbone interact. energy: -0.086
local terms energy: -41.344870
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -9.380
flat angles C4'-P-C4' energy: -8.381
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -3.662
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: 7
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -73.678428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.678428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.678428 (E_RNA)
where:
Base-Base interactions energy: -30.022
where: short stacking energy: -19.630
Base-Backbone interact. energy: -0.101
local terms energy: -43.555035
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -11.055
flat angles C4'-P-C4' energy: -9.536
flat angles P-C4'-P energy: -6.501
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: 7, replica: 1
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -61.009859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.009859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.009859 (E_RNA)
where:
Base-Base interactions energy: -22.698
where: short stacking energy: -22.698
Base-Backbone interact. energy: -0.016
local terms energy: -38.295541
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -6.530
flat angles C4'-P-C4' energy: -8.480
flat angles P-C4'-P energy: -2.301
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: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -61.460557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.460557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.460557 (E_RNA)
where:
Base-Base interactions energy: -27.788
where: short stacking energy: -22.504
Base-Backbone interact. energy: -0.002
local terms energy: -33.670956
where:
bonds (distance) C4'-P energy: -7.578
bonds (distance) P-C4' energy: -9.559
flat angles C4'-P-C4' energy: -8.371
flat angles P-C4'-P energy: -4.992
tors. eta vs tors. theta energy: -3.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -61.334296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.334296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.334296 (E_RNA)
where:
Base-Base interactions energy: -20.082
where: short stacking energy: -21.582
Base-Backbone interact. energy: -0.012
local terms energy: -41.240172
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -4.762
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -3.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -53.186085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.186085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.186085 (E_RNA)
where:
Base-Base interactions energy: -17.398
where: short stacking energy: -13.661
Base-Backbone interact. energy: -0.088
local terms energy: -35.700102
where:
bonds (distance) C4'-P energy: -8.864
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -6.313
tors. eta vs tors. theta energy: 3.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -118.365045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.365045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.365045 (E_RNA)
where:
Base-Base interactions energy: -68.006
where: short stacking energy: -34.376
Base-Backbone interact. energy: -0.024
local terms energy: -50.335707
where:
bonds (distance) C4'-P energy: -9.548
bonds (distance) P-C4' energy: -11.383
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -9.569
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: 2, replica: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -112.978840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.978840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.978840 (E_RNA)
where:
Base-Base interactions energy: -68.322
where: short stacking energy: -29.709
Base-Backbone interact. energy: -0.437
local terms energy: -44.219881
where:
bonds (distance) C4'-P energy: -7.917
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -8.517
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: -12.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -116.909755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.909755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.909755 (E_RNA)
where:
Base-Base interactions energy: -66.412
where: short stacking energy: -28.690
Base-Backbone interact. energy: -0.005
local terms energy: -50.493083
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -7.894
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: 4, replica: 3
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -91.574413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.574413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.574413 (E_RNA)
where:
Base-Base interactions energy: -62.612
where: short stacking energy: -27.485
Base-Backbone interact. energy: 1.386
local terms energy: -30.348648
where:
bonds (distance) C4'-P energy: -8.022
bonds (distance) P-C4' energy: -6.698
flat angles C4'-P-C4' energy: -3.725
flat angles P-C4'-P energy: -5.783
tors. eta vs tors. theta energy: -6.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -71.769154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.769154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.769154 (E_RNA)
where:
Base-Base interactions energy: -29.287
where: short stacking energy: -27.840
Base-Backbone interact. energy: 0.441
local terms energy: -42.923122
where:
bonds (distance) C4'-P energy: -9.734
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -4.952
tors. eta vs tors. theta energy: -6.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -67.920148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.920148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.920148 (E_RNA)
where:
Base-Base interactions energy: -25.759
where: short stacking energy: -14.080
Base-Backbone interact. energy: -0.563
local terms energy: -41.598120
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -8.647
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -1.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -61.241254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.241254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.241254 (E_RNA)
where:
Base-Base interactions energy: -18.966
where: short stacking energy: -16.274
Base-Backbone interact. energy: -1.261
local terms energy: -41.013445
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -7.206
flat angles P-C4'-P energy: -5.661
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: 8, replica: 1
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -66.720825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.720825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.720825 (E_RNA)
where:
Base-Base interactions energy: -26.250
where: short stacking energy: -19.622
Base-Backbone interact. energy: -0.054
local terms energy: -40.417480
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -11.183
flat angles C4'-P-C4' energy: -10.514
flat angles P-C4'-P energy: -2.762
tors. eta vs tors. theta energy: -4.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -53.907733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.907733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.907733 (E_RNA)
where:
Base-Base interactions energy: -20.023
where: short stacking energy: -10.573
Base-Backbone interact. energy: -0.456
local terms energy: -33.428931
where:
bonds (distance) C4'-P energy: -10.522
bonds (distance) P-C4' energy: -8.601
flat angles C4'-P-C4' energy: -9.551
flat angles P-C4'-P energy: -1.412
tors. eta vs tors. theta energy: -3.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -50.215270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.215270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.215270 (E_RNA)
where:
Base-Base interactions energy: -24.811
where: short stacking energy: -16.561
Base-Backbone interact. energy: -0.118
local terms energy: -25.286472
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -9.220
flat angles C4'-P-C4' energy: -5.146
flat angles P-C4'-P energy: -0.277
tors. eta vs tors. theta energy: -0.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -121.733876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.733876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.733876 (E_RNA)
where:
Base-Base interactions energy: -74.264
where: short stacking energy: -32.643
Base-Backbone interact. energy: -0.162
local terms energy: -47.307973
where:
bonds (distance) C4'-P energy: -9.375
bonds (distance) P-C4' energy: -10.273
flat angles C4'-P-C4' energy: -10.229
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -9.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -112.923214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.923214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.923214 (E_RNA)
where:
Base-Base interactions energy: -63.573
where: short stacking energy: -28.550
Base-Backbone interact. energy: -0.463
local terms energy: -48.887508
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -10.039
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -7.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -110.525438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.525438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.525438 (E_RNA)
where:
Base-Base interactions energy: -67.864
where: short stacking energy: -31.238
Base-Backbone interact. energy: 0.867
local terms energy: -43.528706
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -8.970
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -5.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -107.753491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.753491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.753491 (E_RNA)
where:
Base-Base interactions energy: -58.404
where: short stacking energy: -38.601
Base-Backbone interact. energy: -0.041
local terms energy: -49.308430
where:
bonds (distance) C4'-P energy: -9.158
bonds (distance) P-C4' energy: -8.641
flat angles C4'-P-C4' energy: -11.018
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -11.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -85.900136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.900136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.900136 (E_RNA)
where:
Base-Base interactions energy: -46.031
where: short stacking energy: -24.621
Base-Backbone interact. energy: -0.162
local terms energy: -39.706926
where:
bonds (distance) C4'-P energy: -7.921
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -0.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -59.825593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.825593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.825593 (E_RNA)
where:
Base-Base interactions energy: -23.642
where: short stacking energy: -19.866
Base-Backbone interact. energy: -0.106
local terms energy: -36.077517
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -11.622
flat angles C4'-P-C4' energy: -9.391
flat angles P-C4'-P energy: -1.279
tors. eta vs tors. theta energy: -2.805
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: 2
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -59.900432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.900432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.900432 (E_RNA)
where:
Base-Base interactions energy: -20.303
where: short stacking energy: -13.755
Base-Backbone interact. energy: -0.076
local terms energy: -39.522205
where:
bonds (distance) C4'-P energy: -8.182
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: 0.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -61.784810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.784810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.784810 (E_RNA)
where:
Base-Base interactions energy: -25.717
where: short stacking energy: -14.035
Base-Backbone interact. energy: -0.197
local terms energy: -35.870849
where:
bonds (distance) C4'-P energy: -9.639
bonds (distance) P-C4' energy: -9.433
flat angles C4'-P-C4' energy: -9.583
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: 0.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -59.489271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.489271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.489271 (E_RNA)
where:
Base-Base interactions energy: -25.875
where: short stacking energy: -20.932
Base-Backbone interact. energy: -0.003
local terms energy: -33.611664
where:
bonds (distance) C4'-P energy: -8.253
bonds (distance) P-C4' energy: -10.381
flat angles C4'-P-C4' energy: -10.721
flat angles P-C4'-P energy: -3.025
tors. eta vs tors. theta energy: -1.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -52.679286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.679286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.679286 (E_RNA)
where:
Base-Base interactions energy: -13.338
where: short stacking energy: -13.189
Base-Backbone interact. energy: -0.001
local terms energy: -39.339934
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -8.278
flat angles P-C4'-P energy: -3.890
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: 9
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -111.172217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.172217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.172217 (E_RNA)
where:
Base-Base interactions energy: -69.440
where: short stacking energy: -24.246
Base-Backbone interact. energy: -0.983
local terms energy: -40.749514
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -13.351
flat angles C4'-P-C4' energy: -6.466
flat angles P-C4'-P energy: -5.537
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: 2, replica: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -128.872000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.872000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.872000 (E_RNA)
where:
Base-Base interactions energy: -86.998
where: short stacking energy: -41.963
Base-Backbone interact. energy: 0.083
local terms energy: -41.957622
where:
bonds (distance) C4'-P energy: -7.615
bonds (distance) P-C4' energy: -6.887
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -6.958
tors. eta vs tors. theta energy: -9.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -108.823442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.823442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.823442 (E_RNA)
where:
Base-Base interactions energy: -69.426
where: short stacking energy: -16.176
Base-Backbone interact. energy: -0.793
local terms energy: -38.604292
where:
bonds (distance) C4'-P energy: -10.815
bonds (distance) P-C4' energy: -10.563
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -5.913
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: 4, replica: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -103.237883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.237883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.237883 (E_RNA)
where:
Base-Base interactions energy: -62.150
where: short stacking energy: -28.560
Base-Backbone interact. energy: -0.615
local terms energy: -40.472423
where:
bonds (distance) C4'-P energy: -8.314
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -8.888
flat angles P-C4'-P energy: -4.656
tors. eta vs tors. theta energy: -6.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -92.811647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.811647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.811647 (E_RNA)
where:
Base-Base interactions energy: -44.559
where: short stacking energy: -25.091
Base-Backbone interact. energy: -0.019
local terms energy: -48.234088
where:
bonds (distance) C4'-P energy: -9.548
bonds (distance) P-C4' energy: -8.594
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -9.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -77.159762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.159762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.159762 (E_RNA)
where:
Base-Base interactions energy: -43.487
where: short stacking energy: -22.743
Base-Backbone interact. energy: -0.151
local terms energy: -33.521734
where:
bonds (distance) C4'-P energy: -6.440
bonds (distance) P-C4' energy: -11.748
flat angles C4'-P-C4' energy: -7.406
flat angles P-C4'-P energy: -4.326
tors. eta vs tors. theta energy: -3.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -69.240122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.240122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.240122 (E_RNA)
where:
Base-Base interactions energy: -24.272
where: short stacking energy: -24.029
Base-Backbone interact. energy: -0.032
local terms energy: -44.936650
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -5.579
tors. eta vs tors. theta energy: -4.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -67.538987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.538987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.538987 (E_RNA)
where:
Base-Base interactions energy: -25.220
where: short stacking energy: -20.071
Base-Backbone interact. energy: -0.863
local terms energy: -41.456230
where:
bonds (distance) C4'-P energy: -6.588
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -11.530
flat angles P-C4'-P energy: -6.707
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: 9, replica: 1
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -62.466408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.466408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.466408 (E_RNA)
where:
Base-Base interactions energy: -27.913
where: short stacking energy: -14.828
Base-Backbone interact. energy: -0.010
local terms energy: -34.543598
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -3.344
flat angles P-C4'-P energy: -3.747
tors. eta vs tors. theta energy: -4.361
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: 10, replica: 6
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -56.250077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.250077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.250077 (E_RNA)
where:
Base-Base interactions energy: -17.977
where: short stacking energy: -17.977
Base-Backbone interact. energy: -0.588
local terms energy: -37.685486
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -7.964
flat angles P-C4'-P energy: -5.326
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: 363
Temperature: 0.900000
Total energy: -116.905637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.905637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.905637 (E_RNA)
where:
Base-Base interactions energy: -76.411
where: short stacking energy: -33.281
Base-Backbone interact. energy: -0.032
local terms energy: -40.462726
where:
bonds (distance) C4'-P energy: -6.068
bonds (distance) P-C4' energy: -6.352
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -7.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -139.441225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.441225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.441225 (E_RNA)
where:
Base-Base interactions energy: -90.945
where: short stacking energy: -33.823
Base-Backbone interact. energy: -0.770
local terms energy: -47.726709
where:
bonds (distance) C4'-P energy: -10.566
bonds (distance) P-C4' energy: -10.225
flat angles C4'-P-C4' energy: -9.440
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -8.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -92.206990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.206990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.206990 (E_RNA)
where:
Base-Base interactions energy: -45.667
where: short stacking energy: -26.117
Base-Backbone interact. energy: -0.014
local terms energy: -46.525960
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -10.972
flat angles C4'-P-C4' energy: -9.545
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -4.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -76.240834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.240834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.240834 (E_RNA)
where:
Base-Base interactions energy: -31.370
where: short stacking energy: -20.093
Base-Backbone interact. energy: 0.725
local terms energy: -45.595910
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -11.781
flat angles P-C4'-P energy: -5.419
tors. eta vs tors. theta energy: -6.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -68.894241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.894241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.894241 (E_RNA)
where:
Base-Base interactions energy: -25.432
where: short stacking energy: -25.303
Base-Backbone interact. energy: -0.074
local terms energy: -43.388215
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -10.981
flat angles P-C4'-P energy: -3.813
tors. eta vs tors. theta energy: -5.363
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: 4
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -68.965669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.965669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.965669 (E_RNA)
where:
Base-Base interactions energy: -28.251
where: short stacking energy: -24.768
Base-Backbone interact. energy: 1.614
local terms energy: -42.328605
where:
bonds (distance) C4'-P energy: -10.247
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -5.011
tors. eta vs tors. theta energy: -3.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -61.832097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.832097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.832097 (E_RNA)
where:
Base-Base interactions energy: -25.264
where: short stacking energy: -17.002
Base-Backbone interact. energy: -0.624
local terms energy: -35.943272
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -6.356
flat angles P-C4'-P energy: -2.921
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: 8, replica: 1
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -55.553035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.553035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.553035 (E_RNA)
where:
Base-Base interactions energy: -19.878
where: short stacking energy: -12.218
Base-Backbone interact. energy: -0.379
local terms energy: -35.295310
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -3.143
tors. eta vs tors. theta energy: 1.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -59.151249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.151249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.151249 (E_RNA)
where:
Base-Base interactions energy: -18.384
where: short stacking energy: -16.401
Base-Backbone interact. energy: -0.038
local terms energy: -40.729094
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -11.261
flat angles C4'-P-C4' energy: -9.650
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -1.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -55.076458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.076458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.076458 (E_RNA)
where:
Base-Base interactions energy: -23.318
where: short stacking energy: -18.803
Base-Backbone interact. energy: -0.003
local terms energy: -31.755091
where:
bonds (distance) C4'-P energy: -4.356
bonds (distance) P-C4' energy: -9.214
flat angles C4'-P-C4' energy: -10.091
flat angles P-C4'-P energy: -5.700
tors. eta vs tors. theta energy: -2.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -141.263288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.263288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.263288 (E_RNA)
where:
Base-Base interactions energy: -96.467
where: short stacking energy: -39.524
Base-Backbone interact. energy: -0.291
local terms energy: -44.505190
where:
bonds (distance) C4'-P energy: -9.378
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -7.954
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -7.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -129.223881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.223881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.223881 (E_RNA)
where:
Base-Base interactions energy: -84.434
where: short stacking energy: -26.244
Base-Backbone interact. energy: -0.126
local terms energy: -44.664034
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -7.874
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -6.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -91.575116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.575116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.575116 (E_RNA)
where:
Base-Base interactions energy: -46.301
where: short stacking energy: -28.999
Base-Backbone interact. energy: -0.714
local terms energy: -44.559883
where:
bonds (distance) C4'-P energy: -9.974
bonds (distance) P-C4' energy: -11.880
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: -4.906
tors. eta vs tors. theta energy: -7.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -68.035203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.035203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.035203 (E_RNA)
where:
Base-Base interactions energy: -30.816
where: short stacking energy: -24.591
Base-Backbone interact. energy: -0.359
local terms energy: -36.859978
where:
bonds (distance) C4'-P energy: -6.392
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: 0.038
tors. eta vs tors. theta energy: -5.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -82.799784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.799784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.799784 (E_RNA)
where:
Base-Base interactions energy: -40.183
where: short stacking energy: -23.924
Base-Backbone interact. energy: -0.064
local terms energy: -42.552615
where:
bonds (distance) C4'-P energy: -10.396
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -7.999
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -2.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -71.685229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.685229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.685229 (E_RNA)
where:
Base-Base interactions energy: -28.499
where: short stacking energy: -24.080
Base-Backbone interact. energy: -0.009
local terms energy: -43.176672
where:
bonds (distance) C4'-P energy: -8.699
bonds (distance) P-C4' energy: -10.330
flat angles C4'-P-C4' energy: -11.803
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -4.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -65.024386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.024386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.024386 (E_RNA)
where:
Base-Base interactions energy: -25.803
where: short stacking energy: -11.985
Base-Backbone interact. energy: -0.324
local terms energy: -38.897351
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -9.464
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -1.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -59.529789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.529789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.529789 (E_RNA)
where:
Base-Base interactions energy: -24.643
where: short stacking energy: -16.260
Base-Backbone interact. energy: -0.047
local terms energy: -34.839472
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -11.398
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -4.448
tors. eta vs tors. theta energy: 0.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -63.065830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.065830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.065830 (E_RNA)
where:
Base-Base interactions energy: -26.291
where: short stacking energy: -24.866
Base-Backbone interact. energy: -0.237
local terms energy: -36.537900
where:
bonds (distance) C4'-P energy: -4.717
bonds (distance) P-C4' energy: -10.846
flat angles C4'-P-C4' energy: -9.088
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -4.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -58.444912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.444912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.444912 (E_RNA)
where:
Base-Base interactions energy: -23.843
where: short stacking energy: -20.207
Base-Backbone interact. energy: -0.111
local terms energy: -34.490961
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -10.024
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -1.815
tors. eta vs tors. theta energy: -1.479
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: 1, replica: 8
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -146.199638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.199638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.199638 (E_RNA)
where:
Base-Base interactions energy: -99.726
where: short stacking energy: -39.298
Base-Backbone interact. energy: -0.325
local terms energy: -46.148499
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -9.473
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -5.903
tors. eta vs tors. theta energy: -8.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -129.961563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.961563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.961563 (E_RNA)
where:
Base-Base interactions energy: -80.228
where: short stacking energy: -32.145
Base-Backbone interact. energy: -0.665
local terms energy: -49.068510
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -5.854
tors. eta vs tors. theta energy: -4.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -85.607145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.607145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.607145 (E_RNA)
where:
Base-Base interactions energy: -37.835
where: short stacking energy: -24.525
Base-Backbone interact. energy: -0.074
local terms energy: -47.697859
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -10.274
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -7.429
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: 4, replica: 5
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -90.785377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.785377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.785377 (E_RNA)
where:
Base-Base interactions energy: -46.267
where: short stacking energy: -24.757
Base-Backbone interact. energy: -0.667
local terms energy: -43.851380
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -9.425
flat angles P-C4'-P energy: -3.825
tors. eta vs tors. theta energy: -8.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -84.577659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.577659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.577659 (E_RNA)
where:
Base-Base interactions energy: -42.311
where: short stacking energy: -19.365
Base-Backbone interact. energy: -0.103
local terms energy: -42.163297
where:
bonds (distance) C4'-P energy: -8.195
bonds (distance) P-C4' energy: -10.357
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -5.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -65.938327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.938327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.938327 (E_RNA)
where:
Base-Base interactions energy: -31.576
where: short stacking energy: -23.051
Base-Backbone interact. energy: 0.176
local terms energy: -34.538366
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -6.402
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -2.112
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: 7, replica: 4
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -67.972319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.972319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.972319 (E_RNA)
where:
Base-Base interactions energy: -25.250
where: short stacking energy: -18.208
Base-Backbone interact. energy: -0.019
local terms energy: -42.702949
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -7.990
flat angles P-C4'-P energy: -5.692
tors. eta vs tors. theta energy: -3.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -61.171854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.171854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.171854 (E_RNA)
where:
Base-Base interactions energy: -15.555
where: short stacking energy: -15.555
Base-Backbone interact. energy: -0.070
local terms energy: -45.547009
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -11.051
flat angles C4'-P-C4' energy: -10.534
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -5.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -59.817036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.817036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.817036 (E_RNA)
where:
Base-Base interactions energy: -20.641
where: short stacking energy: -18.268
Base-Backbone interact. energy: -0.823
local terms energy: -38.352715
where:
bonds (distance) C4'-P energy: -6.347
bonds (distance) P-C4' energy: -10.725
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -5.237
tors. eta vs tors. theta energy: -3.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -55.254455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.254455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.254455 (E_RNA)
where:
Base-Base interactions energy: -22.935
where: short stacking energy: -11.320
Base-Backbone interact. energy: -0.094
local terms energy: -32.224764
where:
bonds (distance) C4'-P energy: -10.375
bonds (distance) P-C4' energy: -10.150
flat angles C4'-P-C4' energy: -8.781
flat angles P-C4'-P energy: -1.395
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: 1, replica: 8
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -145.446782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.446782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.446782 (E_RNA)
where:
Base-Base interactions energy: -97.632
where: short stacking energy: -40.239
Base-Backbone interact. energy: -0.720
local terms energy: -47.095258
where:
bonds (distance) C4'-P energy: -7.677
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -10.319
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -8.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -110.840020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.840020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.840020 (E_RNA)
where:
Base-Base interactions energy: -70.327
where: short stacking energy: -31.955
Base-Backbone interact. energy: 0.299
local terms energy: -40.811567
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -7.549
flat angles P-C4'-P energy: -4.514
tors. eta vs tors. theta energy: -5.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -90.810366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.810366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.810366 (E_RNA)
where:
Base-Base interactions energy: -50.707
where: short stacking energy: -19.123
Base-Backbone interact. energy: -0.581
local terms energy: -39.522651
where:
bonds (distance) C4'-P energy: -9.345
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -6.715
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -1.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -82.485654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.485654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.485654 (E_RNA)
where:
Base-Base interactions energy: -38.611
where: short stacking energy: -21.877
Base-Backbone interact. energy: -0.088
local terms energy: -43.787381
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -11.515
flat angles C4'-P-C4' energy: -9.701
flat angles P-C4'-P energy: -5.121
tors. eta vs tors. theta energy: -5.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -80.235581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.235581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.235581 (E_RNA)
where:
Base-Base interactions energy: -35.037
where: short stacking energy: -22.128
Base-Backbone interact. energy: -0.009
local terms energy: -45.189462
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -8.922
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -4.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -78.303693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.303693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.303693 (E_RNA)
where:
Base-Base interactions energy: -46.449
where: short stacking energy: -27.511
Base-Backbone interact. energy: -0.334
local terms energy: -31.520356
where:
bonds (distance) C4'-P energy: -8.064
bonds (distance) P-C4' energy: -10.039
flat angles C4'-P-C4' energy: -4.923
flat angles P-C4'-P energy: -6.947
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: 7, replica: 4
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -63.782582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.782582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.782582 (E_RNA)
where:
Base-Base interactions energy: -25.156
where: short stacking energy: -20.277
Base-Backbone interact. energy: -0.258
local terms energy: -38.369252
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -9.623
flat angles P-C4'-P energy: -4.817
tors. eta vs tors. theta energy: -0.178
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: 6
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -64.700893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.700893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.700893 (E_RNA)
where:
Base-Base interactions energy: -23.603
where: short stacking energy: -18.626
Base-Backbone interact. energy: -0.655
local terms energy: -40.442470
where:
bonds (distance) C4'-P energy: -9.454
bonds (distance) P-C4' energy: -7.549
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -3.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -67.696652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.696652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.696652 (E_RNA)
where:
Base-Base interactions energy: -30.284
where: short stacking energy: -17.819
Base-Backbone interact. energy: -0.077
local terms energy: -37.335280
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -8.391
flat angles P-C4'-P energy: -1.384
tors. eta vs tors. theta energy: -4.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -53.732923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.732923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.732923 (E_RNA)
where:
Base-Base interactions energy: -19.159
where: short stacking energy: -10.798
Base-Backbone interact. energy: 0.433
local terms energy: -35.006781
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -7.968
flat angles P-C4'-P energy: -3.235
tors. eta vs tors. theta energy: -0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -149.179705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.179705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.179705 (E_RNA)
where:
Base-Base interactions energy: -98.816
where: short stacking energy: -40.694
Base-Backbone interact. energy: -0.193
local terms energy: -50.170915
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -2.816
tors. eta vs tors. theta energy: -9.803
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: 5
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -99.415341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.415341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.415341 (E_RNA)
where:
Base-Base interactions energy: -57.344
where: short stacking energy: -29.498
Base-Backbone interact. energy: -0.128
local terms energy: -41.943295
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -6.752
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: -6.319
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: 9
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -110.737395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.737395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.737395 (E_RNA)
where:
Base-Base interactions energy: -69.009
where: short stacking energy: -23.308
Base-Backbone interact. energy: -1.174
local terms energy: -40.554863
where:
bonds (distance) C4'-P energy: -7.516
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -4.825
tors. eta vs tors. theta energy: -4.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -86.033848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.033848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.033848 (E_RNA)
where:
Base-Base interactions energy: -53.381
where: short stacking energy: -31.638
Base-Backbone interact. energy: -0.044
local terms energy: -32.607991
where:
bonds (distance) C4'-P energy: -7.976
bonds (distance) P-C4' energy: -6.293
flat angles C4'-P-C4' energy: -3.977
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -6.089
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: 7
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -66.306865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.306865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.306865 (E_RNA)
where:
Base-Base interactions energy: -30.482
where: short stacking energy: -27.440
Base-Backbone interact. energy: -0.132
local terms energy: -35.692646
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -11.998
flat angles C4'-P-C4' energy: -7.873
flat angles P-C4'-P energy: -4.556
tors. eta vs tors. theta energy: -0.661
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: 6, replica: 3
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -61.641075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.641075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.641075 (E_RNA)
where:
Base-Base interactions energy: -27.912
where: short stacking energy: -22.475
Base-Backbone interact. energy: -0.038
local terms energy: -33.690502
where:
bonds (distance) C4'-P energy: -9.698
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -7.365
flat angles P-C4'-P energy: -4.427
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: 7, replica: 4
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -59.259107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.259107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.259107 (E_RNA)
where:
Base-Base interactions energy: -12.900
where: short stacking energy: -12.900
Base-Backbone interact. energy: -0.072
local terms energy: -46.287554
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -5.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -67.029154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.029154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.029154 (E_RNA)
where:
Base-Base interactions energy: -23.816
where: short stacking energy: -18.488
Base-Backbone interact. energy: -0.022
local terms energy: -43.191103
where:
bonds (distance) C4'-P energy: -7.396
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -7.340
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -6.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -61.723067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.723067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.723067 (E_RNA)
where:
Base-Base interactions energy: -33.573
where: short stacking energy: -27.469
Base-Backbone interact. energy: -0.022
local terms energy: -28.128460
where:
bonds (distance) C4'-P energy: -7.338
bonds (distance) P-C4' energy: -9.087
flat angles C4'-P-C4' energy: -5.425
flat angles P-C4'-P energy: -4.494
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: 1
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -55.061929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.061929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.061929 (E_RNA)
where:
Base-Base interactions energy: -19.136
where: short stacking energy: -12.454
Base-Backbone interact. energy: -0.003
local terms energy: -35.922293
where:
bonds (distance) C4'-P energy: -6.717
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -10.295
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -0.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -145.812062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.812062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.812062 (E_RNA)
where:
Base-Base interactions energy: -91.735
where: short stacking energy: -35.407
Base-Backbone interact. energy: -0.138
local terms energy: -53.939351
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -9.693
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -10.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -104.061007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.061007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.061007 (E_RNA)
where:
Base-Base interactions energy: -57.677
where: short stacking energy: -34.224
Base-Backbone interact. energy: 0.084
local terms energy: -46.468156
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -9.792
flat angles P-C4'-P energy: -2.680
tors. eta vs tors. theta energy: -10.902
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: 10
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -96.345551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.345551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.345551 (E_RNA)
where:
Base-Base interactions energy: -51.959
where: short stacking energy: -32.586
Base-Backbone interact. energy: -0.001
local terms energy: -44.384865
where:
bonds (distance) C4'-P energy: -8.898
bonds (distance) P-C4' energy: -9.072
flat angles C4'-P-C4' energy: -10.317
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: -8.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -75.210340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.210340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.210340 (E_RNA)
where:
Base-Base interactions energy: -32.503
where: short stacking energy: -17.145
Base-Backbone interact. energy: -0.404
local terms energy: -42.302610
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -3.998
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: 5, replica: 7
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -86.134292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.134292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.134292 (E_RNA)
where:
Base-Base interactions energy: -41.392
where: short stacking energy: -29.740
Base-Backbone interact. energy: -0.005
local terms energy: -44.737323
where:
bonds (distance) C4'-P energy: -7.487
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -9.688
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -8.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -86.461434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.461434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.461434 (E_RNA)
where:
Base-Base interactions energy: -53.099
where: short stacking energy: -26.323
Base-Backbone interact. energy: -0.043
local terms energy: -33.319440
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -5.035
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -4.286
tors. eta vs tors. theta energy: -1.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -69.244038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.244038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.244038 (E_RNA)
where:
Base-Base interactions energy: -23.514
where: short stacking energy: -20.479
Base-Backbone interact. energy: -0.168
local terms energy: -45.561821
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -9.980
flat angles P-C4'-P energy: -2.786
tors. eta vs tors. theta energy: -6.848
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: 8, replica: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -59.658516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.658516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.658516 (E_RNA)
where:
Base-Base interactions energy: -18.051
where: short stacking energy: -13.045
Base-Backbone interact. energy: -0.097
local terms energy: -41.511080
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -10.741
flat angles P-C4'-P energy: -5.724
tors. eta vs tors. theta energy: -0.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -58.094595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.094595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.094595 (E_RNA)
where:
Base-Base interactions energy: -14.426
where: short stacking energy: -13.847
Base-Backbone interact. energy: -0.011
local terms energy: -43.656900
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -12.456
flat angles C4'-P-C4' energy: -8.000
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: -2.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -63.095944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.095944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.095944 (E_RNA)
where:
Base-Base interactions energy: -27.861
where: short stacking energy: -20.590
Base-Backbone interact. energy: -0.249
local terms energy: -34.986253
where:
bonds (distance) C4'-P energy: -7.222
bonds (distance) P-C4' energy: -7.828
flat angles C4'-P-C4' energy: -11.465
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -2.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -132.813985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.813985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.813985 (E_RNA)
where:
Base-Base interactions energy: -85.066
where: short stacking energy: -36.718
Base-Backbone interact. energy: -0.242
local terms energy: -47.506362
where:
bonds (distance) C4'-P energy: -9.979
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -9.436
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -8.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -90.078535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.078535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.078535 (E_RNA)
where:
Base-Base interactions energy: -42.304
where: short stacking energy: -36.384
Base-Backbone interact. energy: -0.005
local terms energy: -47.769035
where:
bonds (distance) C4'-P energy: -7.347
bonds (distance) P-C4' energy: -12.241
flat angles C4'-P-C4' energy: -10.555
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -10.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -95.490614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.490614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.490614 (E_RNA)
where:
Base-Base interactions energy: -48.326
where: short stacking energy: -33.181
Base-Backbone interact. energy: -0.070
local terms energy: -47.094876
where:
bonds (distance) C4'-P energy: -11.137
bonds (distance) P-C4' energy: -8.861
flat angles C4'-P-C4' energy: -9.207
flat angles P-C4'-P energy: -6.718
tors. eta vs tors. theta energy: -11.171
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: 7
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -76.357263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.357263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.357263 (E_RNA)
where:
Base-Base interactions energy: -31.315
where: short stacking energy: -31.315
Base-Backbone interact. energy: -0.097
local terms energy: -44.945296
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -9.087
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -6.509
tors. eta vs tors. theta energy: -5.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -65.741873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.741873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.741873 (E_RNA)
where:
Base-Base interactions energy: -23.367
where: short stacking energy: -19.690
Base-Backbone interact. energy: 0.630
local terms energy: -43.005355
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -9.358
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -8.390
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: 6, replica: 2
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -66.429247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.429247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.429247 (E_RNA)
where:
Base-Base interactions energy: -24.601
where: short stacking energy: -24.601
Base-Backbone interact. energy: -0.088
local terms energy: -41.740470
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -9.298
flat angles C4'-P-C4' energy: -8.322
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -6.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -72.900971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.900971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.900971 (E_RNA)
where:
Base-Base interactions energy: -33.112
where: short stacking energy: -21.046
Base-Backbone interact. energy: -0.054
local terms energy: -39.735362
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -8.206
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -0.631
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: 1
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -61.114335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.114335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.114335 (E_RNA)
where:
Base-Base interactions energy: -19.084
where: short stacking energy: -19.084
Base-Backbone interact. energy: -0.031
local terms energy: -41.999275
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -6.999
flat angles C4'-P-C4' energy: -10.188
flat angles P-C4'-P energy: -4.920
tors. eta vs tors. theta energy: -6.562
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: 9, replica: 4
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -49.353724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.353724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.353724 (E_RNA)
where:
Base-Base interactions energy: -14.281
where: short stacking energy: -14.281
Base-Backbone interact. energy: -0.135
local terms energy: -34.937360
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -10.674
flat angles C4'-P-C4' energy: -8.091
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: 4.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -48.849442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.849442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.849442 (E_RNA)
where:
Base-Base interactions energy: -13.910
where: short stacking energy: -13.188
Base-Backbone interact. energy: 2.190
local terms energy: -37.129519
where:
bonds (distance) C4'-P energy: -8.708
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -5.957
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: 0.373
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: 8
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -136.491213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.491213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.491213 (E_RNA)
where:
Base-Base interactions energy: -87.865
where: short stacking energy: -40.554
Base-Backbone interact. energy: -0.649
local terms energy: -47.977119
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -9.187
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: -10.301
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: 5
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -103.681809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.681809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.681809 (E_RNA)
where:
Base-Base interactions energy: -56.495
where: short stacking energy: -27.658
Base-Backbone interact. energy: -0.138
local terms energy: -47.048221
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -4.286
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: 7
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -77.689701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.689701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.689701 (E_RNA)
where:
Base-Base interactions energy: -32.970
where: short stacking energy: -29.510
Base-Backbone interact. energy: -0.138
local terms energy: -44.582318
where:
bonds (distance) C4'-P energy: -8.721
bonds (distance) P-C4' energy: -9.762
flat angles C4'-P-C4' energy: -8.918
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -7.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -94.645189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.645189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.645189 (E_RNA)
where:
Base-Base interactions energy: -45.668
where: short stacking energy: -37.038
Base-Backbone interact. energy: -0.089
local terms energy: -48.888095
where:
bonds (distance) C4'-P energy: -7.118
bonds (distance) P-C4' energy: -10.822
flat angles C4'-P-C4' energy: -11.329
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: -12.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -69.130478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.130478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.130478 (E_RNA)
where:
Base-Base interactions energy: -27.485
where: short stacking energy: -26.546
Base-Backbone interact. energy: -0.252
local terms energy: -41.394115
where:
bonds (distance) C4'-P energy: -8.342
bonds (distance) P-C4' energy: -10.386
flat angles C4'-P-C4' energy: -9.400
flat angles P-C4'-P energy: -6.812
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: 6, replica: 9
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -74.943835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.943835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.943835 (E_RNA)
where:
Base-Base interactions energy: -35.005
where: short stacking energy: -21.411
Base-Backbone interact. energy: -0.213
local terms energy: -39.724858
where:
bonds (distance) C4'-P energy: -9.796
bonds (distance) P-C4' energy: -10.987
flat angles C4'-P-C4' energy: -9.501
flat angles P-C4'-P energy: -7.193
tors. eta vs tors. theta energy: -2.247
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: 370
Temperature: 1.200000
Total energy: -67.435241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.435241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.435241 (E_RNA)
where:
Base-Base interactions energy: -26.384
where: short stacking energy: -15.490
Base-Backbone interact. energy: -0.094
local terms energy: -40.957444
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -4.509
tors. eta vs tors. theta energy: -1.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -57.637180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.637180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.637180 (E_RNA)
where:
Base-Base interactions energy: -21.743
where: short stacking energy: -21.743
Base-Backbone interact. energy: -0.009
local terms energy: -35.885185
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -11.497
flat angles C4'-P-C4' energy: -9.249
flat angles P-C4'-P energy: -2.225
tors. eta vs tors. theta energy: -2.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -51.280158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.280158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.280158 (E_RNA)
where:
Base-Base interactions energy: -18.467
where: short stacking energy: -9.599
Base-Backbone interact. energy: -0.455
local terms energy: -32.358299
where:
bonds (distance) C4'-P energy: -6.596
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -8.973
flat angles P-C4'-P energy: -4.991
tors. eta vs tors. theta energy: 0.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -49.703334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.703334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.703334 (E_RNA)
where:
Base-Base interactions energy: -9.847
where: short stacking energy: -9.847
Base-Backbone interact. energy: -0.120
local terms energy: -39.736131
where:
bonds (distance) C4'-P energy: -9.930
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -10.045
flat angles P-C4'-P energy: -7.322
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: 1, replica: 8
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -129.570561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.570561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.570561 (E_RNA)
where:
Base-Base interactions energy: -87.638
where: short stacking energy: -32.988
Base-Backbone interact. energy: 1.880
local terms energy: -43.813034
where:
bonds (distance) C4'-P energy: -8.310
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -8.412
flat angles P-C4'-P energy: -5.502
tors. eta vs tors. theta energy: -9.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -92.201311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.201311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.201311 (E_RNA)
where:
Base-Base interactions energy: -58.089
where: short stacking energy: -28.214
Base-Backbone interact. energy: -0.166
local terms energy: -33.947079
where:
bonds (distance) C4'-P energy: -7.027
bonds (distance) P-C4' energy: -10.391
flat angles C4'-P-C4' energy: -10.802
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: 0.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -95.394159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.394159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.394159 (E_RNA)
where:
Base-Base interactions energy: -53.293
where: short stacking energy: -29.764
Base-Backbone interact. energy: -0.016
local terms energy: -42.084513
where:
bonds (distance) C4'-P energy: -8.774
bonds (distance) P-C4' energy: -9.767
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -6.135
tors. eta vs tors. theta energy: -5.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -86.035457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.035457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.035457 (E_RNA)
where:
Base-Base interactions energy: -43.381
where: short stacking energy: -22.121
Base-Backbone interact. energy: -0.001
local terms energy: -42.653127
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -9.577
flat angles P-C4'-P energy: -5.704
tors. eta vs tors. theta energy: -3.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -69.840734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.840734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.840734 (E_RNA)
where:
Base-Base interactions energy: -31.945
where: short stacking energy: -21.904
Base-Backbone interact. energy: -0.086
local terms energy: -37.809253
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -4.755
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -1.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -74.662557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.662557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.662557 (E_RNA)
where:
Base-Base interactions energy: -36.695
where: short stacking energy: -26.941
Base-Backbone interact. energy: 1.220
local terms energy: -39.187164
where:
bonds (distance) C4'-P energy: -7.698
bonds (distance) P-C4' energy: -6.852
flat angles C4'-P-C4' energy: -10.394
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -5.795
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: 7, replica: 9
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -68.866444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.866444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.866444 (E_RNA)
where:
Base-Base interactions energy: -34.926
where: short stacking energy: -22.253
Base-Backbone interact. energy: -0.076
local terms energy: -33.864743
where:
bonds (distance) C4'-P energy: -7.972
bonds (distance) P-C4' energy: -7.482
flat angles C4'-P-C4' energy: -8.278
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -1.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -58.854947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.854947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.854947 (E_RNA)
where:
Base-Base interactions energy: -18.021
where: short stacking energy: -18.021
Base-Backbone interact. energy: -0.003
local terms energy: -40.830847
where:
bonds (distance) C4'-P energy: -8.981
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -8.495
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -4.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -57.056828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.056828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.056828 (E_RNA)
where:
Base-Base interactions energy: -17.827
where: short stacking energy: -13.613
Base-Backbone interact. energy: -0.193
local terms energy: -39.037194
where:
bonds (distance) C4'-P energy: -6.902
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -7.845
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -2.811
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: 4
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -59.075593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.075593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.075593 (E_RNA)
where:
Base-Base interactions energy: -22.151
where: short stacking energy: -15.513
Base-Backbone interact. energy: -0.909
local terms energy: -36.015529
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -9.404
flat angles P-C4'-P energy: -5.149
tors. eta vs tors. theta energy: 1.910
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: 8
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -137.374831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.374831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.374831 (E_RNA)
where:
Base-Base interactions energy: -92.283
where: short stacking energy: -36.725
Base-Backbone interact. energy: -0.139
local terms energy: -44.952181
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -9.432
flat angles C4'-P-C4' energy: -9.606
flat angles P-C4'-P energy: -5.788
tors. eta vs tors. theta energy: -7.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -91.313488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.313488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.313488 (E_RNA)
where:
Base-Base interactions energy: -44.511
where: short stacking energy: -36.966
Base-Backbone interact. energy: -0.000
local terms energy: -46.802406
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -4.521
tors. eta vs tors. theta energy: -8.533
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: 5
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -94.574440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.574440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.574440 (E_RNA)
where:
Base-Base interactions energy: -52.598
where: short stacking energy: -22.912
Base-Backbone interact. energy: -0.040
local terms energy: -41.936301
where:
bonds (distance) C4'-P energy: -7.959
bonds (distance) P-C4' energy: -10.539
flat angles C4'-P-C4' energy: -10.953
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -3.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -84.080655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.080655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.080655 (E_RNA)
where:
Base-Base interactions energy: -48.740
where: short stacking energy: -14.341
Base-Backbone interact. energy: -0.468
local terms energy: -34.871778
where:
bonds (distance) C4'-P energy: -6.397
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -8.486
flat angles P-C4'-P energy: -5.519
tors. eta vs tors. theta energy: -2.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -76.962388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.962388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.962388 (E_RNA)
where:
Base-Base interactions energy: -32.551
where: short stacking energy: -21.723
Base-Backbone interact. energy: -0.171
local terms energy: -44.240110
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -11.427
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -7.607
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: 6, replica: 2
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -66.530489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.530489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.530489 (E_RNA)
where:
Base-Base interactions energy: -25.505
where: short stacking energy: -15.178
Base-Backbone interact. energy: 0.098
local terms energy: -41.122891
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -9.829
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -1.876
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: 372
Temperature: 1.200000
Total energy: -70.229789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.229789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.229789 (E_RNA)
where:
Base-Base interactions energy: -34.417
where: short stacking energy: -12.382
Base-Backbone interact. energy: -0.167
local terms energy: -35.646107
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -10.797
flat angles C4'-P-C4' energy: -9.029
flat angles P-C4'-P energy: -4.758
tors. eta vs tors. theta energy: 0.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -56.094847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.094847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.094847 (E_RNA)
where:
Base-Base interactions energy: -25.297
where: short stacking energy: -23.075
Base-Backbone interact. energy: -0.110
local terms energy: -30.687991
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -8.633
flat angles C4'-P-C4' energy: -9.290
flat angles P-C4'-P energy: -0.823
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: 4
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -58.596440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.596440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.596440 (E_RNA)
where:
Base-Base interactions energy: -26.684
where: short stacking energy: -14.427
Base-Backbone interact. energy: -0.136
local terms energy: -31.776568
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -9.948
flat angles C4'-P-C4' energy: -8.895
flat angles P-C4'-P energy: -3.841
tors. eta vs tors. theta energy: 1.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -55.126019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.126019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.126019 (E_RNA)
where:
Base-Base interactions energy: -17.728
where: short stacking energy: -15.404
Base-Backbone interact. energy: 0.489
local terms energy: -37.886581
where:
bonds (distance) C4'-P energy: -9.357
bonds (distance) P-C4' energy: -8.563
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -0.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -146.047647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.047647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.047647 (E_RNA)
where:
Base-Base interactions energy: -98.180
where: short stacking energy: -38.272
Base-Backbone interact. energy: -0.138
local terms energy: -47.730039
where:
bonds (distance) C4'-P energy: -10.459
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -10.195
flat angles P-C4'-P energy: -5.692
tors. eta vs tors. theta energy: -10.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -99.017520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.017520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.017520 (E_RNA)
where:
Base-Base interactions energy: -49.997
where: short stacking energy: -31.046
Base-Backbone interact. energy: -0.340
local terms energy: -48.681255
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -11.303
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -6.104
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: 7
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -88.752320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.752320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.752320 (E_RNA)
where:
Base-Base interactions energy: -48.182
where: short stacking energy: -30.616
Base-Backbone interact. energy: -0.014
local terms energy: -40.556717
where:
bonds (distance) C4'-P energy: -10.612
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -8.365
flat angles P-C4'-P energy: -6.442
tors. eta vs tors. theta energy: -2.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -79.199490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.199490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.199490 (E_RNA)
where:
Base-Base interactions energy: -38.242
where: short stacking energy: -25.172
Base-Backbone interact. energy: 1.230
local terms energy: -42.187010
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -8.764
flat angles C4'-P-C4' energy: -9.760
flat angles P-C4'-P energy: -5.694
tors. eta vs tors. theta energy: -6.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -67.799816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.799816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.799816 (E_RNA)
where:
Base-Base interactions energy: -27.482
where: short stacking energy: -21.173
Base-Backbone interact. energy: -0.110
local terms energy: -40.207986
where:
bonds (distance) C4'-P energy: -9.209
bonds (distance) P-C4' energy: -10.722
flat angles C4'-P-C4' energy: -9.529
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -3.501
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: 373
Temperature: 1.150000
Total energy: -81.879198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.879198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.879198 (E_RNA)
where:
Base-Base interactions energy: -37.336
where: short stacking energy: -21.871
Base-Backbone interact. energy: -0.071
local terms energy: -44.472832
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: -2.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -74.262855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.262855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.262855 (E_RNA)
where:
Base-Base interactions energy: -29.519
where: short stacking energy: -26.448
Base-Backbone interact. energy: 0.419
local terms energy: -45.162964
where:
bonds (distance) C4'-P energy: -7.428
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -4.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -73.260440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.260440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.260440 (E_RNA)
where:
Base-Base interactions energy: -37.676
where: short stacking energy: -22.599
Base-Backbone interact. energy: 0.731
local terms energy: -36.315268
where:
bonds (distance) C4'-P energy: -9.145
bonds (distance) P-C4' energy: -9.936
flat angles C4'-P-C4' energy: -8.207
flat angles P-C4'-P energy: -5.479
tors. eta vs tors. theta energy: -3.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -67.420543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.420543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.420543 (E_RNA)
where:
Base-Base interactions energy: -25.985
where: short stacking energy: -20.857
Base-Backbone interact. energy: -0.021
local terms energy: -41.414630
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -8.960
flat angles P-C4'-P energy: -3.775
tors. eta vs tors. theta energy: -4.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -67.797780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.797780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.797780 (E_RNA)
where:
Base-Base interactions energy: -22.379
where: short stacking energy: -21.698
Base-Backbone interact. energy: -0.054
local terms energy: -45.364108
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -10.416
flat angles C4'-P-C4' energy: -9.410
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -5.553
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: 1, replica: 5
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -101.247817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.247817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.247817 (E_RNA)
where:
Base-Base interactions energy: -55.350
where: short stacking energy: -34.959
Base-Backbone interact. energy: -0.150
local terms energy: -45.747477
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: -6.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -132.111390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.111390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.111390 (E_RNA)
where:
Base-Base interactions energy: -87.398
where: short stacking energy: -36.686
Base-Backbone interact. energy: -0.207
local terms energy: -44.505960
where:
bonds (distance) C4'-P energy: -9.490
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -9.042
flat angles P-C4'-P energy: -6.514
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: 3, replica: 7
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -87.033256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.033256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.033256 (E_RNA)
where:
Base-Base interactions energy: -40.020
where: short stacking energy: -35.106
Base-Backbone interact. energy: -0.000
local terms energy: -47.013066
where:
bonds (distance) C4'-P energy: -11.021
bonds (distance) P-C4' energy: -11.625
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -5.968
tors. eta vs tors. theta energy: -6.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -76.468364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.468364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.468364 (E_RNA)
where:
Base-Base interactions energy: -37.950
where: short stacking energy: -15.048
Base-Backbone interact. energy: -0.953
local terms energy: -37.565181
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -5.741
tors. eta vs tors. theta energy: 4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -76.945015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.945015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.945015 (E_RNA)
where:
Base-Base interactions energy: -40.733
where: short stacking energy: -19.267
Base-Backbone interact. energy: 0.111
local terms energy: -36.323269
where:
bonds (distance) C4'-P energy: -10.458
bonds (distance) P-C4' energy: -10.449
flat angles C4'-P-C4' energy: -9.863
flat angles P-C4'-P energy: -3.877
tors. eta vs tors. theta energy: -1.675
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: 1
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -68.057771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.057771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.057771 (E_RNA)
where:
Base-Base interactions energy: -28.153
where: short stacking energy: -26.963
Base-Backbone interact. energy: -0.130
local terms energy: -39.774381
where:
bonds (distance) C4'-P energy: -3.778
bonds (distance) P-C4' energy: -10.523
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -5.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -73.603940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.603940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.603940 (E_RNA)
where:
Base-Base interactions energy: -33.716
where: short stacking energy: -21.203
Base-Backbone interact. energy: -0.177
local terms energy: -39.710695
where:
bonds (distance) C4'-P energy: -5.854
bonds (distance) P-C4' energy: -8.567
flat angles C4'-P-C4' energy: -10.654
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -6.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -58.588683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.588683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.588683 (E_RNA)
where:
Base-Base interactions energy: -19.302
where: short stacking energy: -15.726
Base-Backbone interact. energy: -0.213
local terms energy: -39.074055
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -5.760
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -3.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -65.722395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.722395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.722395 (E_RNA)
where:
Base-Base interactions energy: -37.799
where: short stacking energy: -23.756
Base-Backbone interact. energy: 0.438
local terms energy: -28.360934
where:
bonds (distance) C4'-P energy: -8.413
bonds (distance) P-C4' energy: -8.125
flat angles C4'-P-C4' energy: -7.200
flat angles P-C4'-P energy: -4.132
tors. eta vs tors. theta energy: -0.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -53.701503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.701503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.701503 (E_RNA)
where:
Base-Base interactions energy: -20.259
where: short stacking energy: -20.165
Base-Backbone interact. energy: 1.438
local terms energy: -34.880501
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -3.875
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -2.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -103.262234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.262234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.262234 (E_RNA)
where:
Base-Base interactions energy: -64.307
where: short stacking energy: -25.231
Base-Backbone interact. energy: -0.298
local terms energy: -38.657762
where:
bonds (distance) C4'-P energy: -8.969
bonds (distance) P-C4' energy: -10.514
flat angles C4'-P-C4' energy: -9.721
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -1.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -137.580977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.580977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.580977 (E_RNA)
where:
Base-Base interactions energy: -87.913
where: short stacking energy: -37.375
Base-Backbone interact. energy: 0.678
local terms energy: -50.346256
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -9.937
flat angles C4'-P-C4' energy: -8.993
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -10.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -79.532504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.532504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.532504 (E_RNA)
where:
Base-Base interactions energy: -37.969
where: short stacking energy: -28.655
Base-Backbone interact. energy: -0.106
local terms energy: -41.457808
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -9.248
flat angles P-C4'-P energy: -5.218
tors. eta vs tors. theta energy: -3.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -84.441169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.441169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.441169 (E_RNA)
where:
Base-Base interactions energy: -36.483
where: short stacking energy: -23.069
Base-Backbone interact. energy: -0.356
local terms energy: -47.602336
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: -6.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -80.398764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.398764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.398764 (E_RNA)
where:
Base-Base interactions energy: -40.172
where: short stacking energy: -26.008
Base-Backbone interact. energy: -0.289
local terms energy: -39.937648
where:
bonds (distance) C4'-P energy: -9.846
bonds (distance) P-C4' energy: -10.122
flat angles C4'-P-C4' energy: -8.883
flat angles P-C4'-P energy: -5.088
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: 6, replica: 4
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -76.508742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.508742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.508742 (E_RNA)
where:
Base-Base interactions energy: -36.503
where: short stacking energy: -25.195
Base-Backbone interact. energy: -0.153
local terms energy: -39.852739
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -9.250
flat angles P-C4'-P energy: -5.360
tors. eta vs tors. theta energy: -2.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -61.164071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.164071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.164071 (E_RNA)
where:
Base-Base interactions energy: -24.677
where: short stacking energy: -10.737
Base-Backbone interact. energy: -0.142
local terms energy: -36.345883
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -3.598
tors. eta vs tors. theta energy: -1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -61.558584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.558584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.558584 (E_RNA)
where:
Base-Base interactions energy: -25.827
where: short stacking energy: -15.044
Base-Backbone interact. energy: -1.312
local terms energy: -34.419892
where:
bonds (distance) C4'-P energy: -9.174
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -8.582
flat angles P-C4'-P energy: -0.736
tors. eta vs tors. theta energy: -3.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -63.014633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.014633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.014633 (E_RNA)
where:
Base-Base interactions energy: -25.482
where: short stacking energy: -18.608
Base-Backbone interact. energy: 1.384
local terms energy: -38.916476
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -8.849
flat angles C4'-P-C4' energy: -7.559
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -2.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -58.043042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.043042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.043042 (E_RNA)
where:
Base-Base interactions energy: -16.276
where: short stacking energy: -10.626
Base-Backbone interact. energy: -0.168
local terms energy: -41.598727
where:
bonds (distance) C4'-P energy: -9.879
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -10.532
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -0.863
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: 8
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -142.122602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.122602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.122602 (E_RNA)
where:
Base-Base interactions energy: -91.781
where: short stacking energy: -40.483
Base-Backbone interact. energy: -0.577
local terms energy: -49.764590
where:
bonds (distance) C4'-P energy: -8.952
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -8.668
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -10.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -121.014397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.014397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.014397 (E_RNA)
where:
Base-Base interactions energy: -62.637
where: short stacking energy: -31.408
Base-Backbone interact. energy: -0.100
local terms energy: -58.277429
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -10.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -100.234734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.234734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.234734 (E_RNA)
where:
Base-Base interactions energy: -52.520
where: short stacking energy: -21.767
Base-Backbone interact. energy: -0.041
local terms energy: -47.673202
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -9.685
flat angles P-C4'-P energy: -6.440
tors. eta vs tors. theta energy: -5.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -75.401361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.401361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.401361 (E_RNA)
where:
Base-Base interactions energy: -30.832
where: short stacking energy: -27.707
Base-Backbone interact. energy: -0.081
local terms energy: -44.488042
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -8.819
flat angles C4'-P-C4' energy: -10.207
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -5.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -79.740105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.740105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.740105 (E_RNA)
where:
Base-Base interactions energy: -40.192
where: short stacking energy: -18.480
Base-Backbone interact. energy: -0.011
local terms energy: -39.537376
where:
bonds (distance) C4'-P energy: -8.618
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -6.834
flat angles P-C4'-P energy: -5.512
tors. eta vs tors. theta energy: -6.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -62.752773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.752773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.752773 (E_RNA)
where:
Base-Base interactions energy: -20.650
where: short stacking energy: -18.424
Base-Backbone interact. energy: -0.006
local terms energy: -42.097112
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -9.779
flat angles P-C4'-P energy: -4.584
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: 7, replica: 3
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -68.701729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.701729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.701729 (E_RNA)
where:
Base-Base interactions energy: -34.455
where: short stacking energy: -24.245
Base-Backbone interact. energy: 1.110
local terms energy: -35.356293
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -8.252
flat angles C4'-P-C4' energy: -3.179
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -6.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -75.887313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.887313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.887313 (E_RNA)
where:
Base-Base interactions energy: -34.819
where: short stacking energy: -27.268
Base-Backbone interact. energy: -0.001
local terms energy: -41.067728
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: -7.182
flat angles P-C4'-P energy: -1.088
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: 9, replica: 9
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -58.945305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.945305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.945305 (E_RNA)
where:
Base-Base interactions energy: -25.383
where: short stacking energy: -14.654
Base-Backbone interact. energy: -0.077
local terms energy: -33.485029
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -11.783
flat angles C4'-P-C4' energy: -8.789
flat angles P-C4'-P energy: -3.628
tors. eta vs tors. theta energy: 0.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -48.373554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.373554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.373554 (E_RNA)
where:
Base-Base interactions energy: -16.241
where: short stacking energy: -12.112
Base-Backbone interact. energy: 0.118
local terms energy: -32.250028
where:
bonds (distance) C4'-P energy: -7.379
bonds (distance) P-C4' energy: -10.514
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: 5.341
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: 8
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -142.595544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.595544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.595544 (E_RNA)
where:
Base-Base interactions energy: -91.452
where: short stacking energy: -33.539
Base-Backbone interact. energy: -0.251
local terms energy: -50.892342
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -10.217
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -8.814
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: 2, replica: 5
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -111.936985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.936985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.936985 (E_RNA)
where:
Base-Base interactions energy: -63.852
where: short stacking energy: -37.158
Base-Backbone interact. energy: -0.010
local terms energy: -48.074755
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -10.432
flat angles C4'-P-C4' energy: -8.154
flat angles P-C4'-P energy: -7.761
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: 3, replica: 6
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -102.408979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.408979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.408979 (E_RNA)
where:
Base-Base interactions energy: -57.445
where: short stacking energy: -31.359
Base-Backbone interact. energy: -0.095
local terms energy: -44.868833
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -9.939
flat angles C4'-P-C4' energy: -9.341
flat angles P-C4'-P energy: -6.316
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: 4, replica: 4
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -72.596966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.596966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.596966 (E_RNA)
where:
Base-Base interactions energy: -37.356
where: short stacking energy: -27.703
Base-Backbone interact. energy: -0.069
local terms energy: -35.171806
where:
bonds (distance) C4'-P energy: -6.816
bonds (distance) P-C4' energy: -8.685
flat angles C4'-P-C4' energy: -9.613
flat angles P-C4'-P energy: -6.281
tors. eta vs tors. theta energy: -3.777
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: 7
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -70.125257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.125257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.125257 (E_RNA)
where:
Base-Base interactions energy: -28.004
where: short stacking energy: -27.742
Base-Backbone interact. energy: -0.095
local terms energy: -42.025748
where:
bonds (distance) C4'-P energy: -5.921
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -4.712
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: 10
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -68.204552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.204552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.204552 (E_RNA)
where:
Base-Base interactions energy: -28.822
where: short stacking energy: -18.291
Base-Backbone interact. energy: -0.183
local terms energy: -39.199306
where:
bonds (distance) C4'-P energy: -4.596
bonds (distance) P-C4' energy: -10.054
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -3.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -66.972490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.972490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.972490 (E_RNA)
where:
Base-Base interactions energy: -25.899
where: short stacking energy: -20.349
Base-Backbone interact. energy: -0.081
local terms energy: -40.992049
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -9.645
flat angles P-C4'-P energy: -4.245
tors. eta vs tors. theta energy: -4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -64.054284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.054284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.054284 (E_RNA)
where:
Base-Base interactions energy: -32.314
where: short stacking energy: -21.627
Base-Backbone interact. energy: -0.241
local terms energy: -31.499144
where:
bonds (distance) C4'-P energy: -6.616
bonds (distance) P-C4' energy: -6.628
flat angles C4'-P-C4' energy: -8.408
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -2.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -64.289335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.289335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.289335 (E_RNA)
where:
Base-Base interactions energy: -21.703
where: short stacking energy: -21.703
Base-Backbone interact. energy: -0.174
local terms energy: -42.412419
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -9.447
flat angles C4'-P-C4' energy: -10.601
flat angles P-C4'-P energy: -5.775
tors. eta vs tors. theta energy: -6.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -50.141069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.141069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.141069 (E_RNA)
where:
Base-Base interactions energy: -15.619
where: short stacking energy: -14.927
Base-Backbone interact. energy: -0.300
local terms energy: -34.222634
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -10.127
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: 2.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -142.851628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.851628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.851628 (E_RNA)
where:
Base-Base interactions energy: -92.220
where: short stacking energy: -34.841
Base-Backbone interact. energy: -0.649
local terms energy: -49.982987
where:
bonds (distance) C4'-P energy: -10.874
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -8.560
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -9.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -95.771237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.771237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.771237 (E_RNA)
where:
Base-Base interactions energy: -49.814
where: short stacking energy: -30.967
Base-Backbone interact. energy: -0.112
local terms energy: -45.844615
where:
bonds (distance) C4'-P energy: -8.641
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -7.724
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: 3, replica: 6
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -105.355912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.355912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.355912 (E_RNA)
where:
Base-Base interactions energy: -64.455
where: short stacking energy: -18.352
Base-Backbone interact. energy: -0.101
local terms energy: -40.799631
where:
bonds (distance) C4'-P energy: -9.482
bonds (distance) P-C4' energy: -9.889
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -5.370
tors. eta vs tors. theta energy: -3.818
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: 4, replica: 4
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -73.413245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.413245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.413245 (E_RNA)
where:
Base-Base interactions energy: -31.699
where: short stacking energy: -23.021
Base-Backbone interact. energy: -0.101
local terms energy: -41.613371
where:
bonds (distance) C4'-P energy: -9.672
bonds (distance) P-C4' energy: -11.991
flat angles C4'-P-C4' energy: -10.690
flat angles P-C4'-P energy: -6.175
tors. eta vs tors. theta energy: -3.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -79.756501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.756501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.756501 (E_RNA)
where:
Base-Base interactions energy: -33.780
where: short stacking energy: -14.126
Base-Backbone interact. energy: -0.092
local terms energy: -45.884222
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -10.940
flat angles P-C4'-P energy: -6.892
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: 6, replica: 7
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -74.475747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.475747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.475747 (E_RNA)
where:
Base-Base interactions energy: -28.162
where: short stacking energy: -27.946
Base-Backbone interact. energy: -0.022
local terms energy: -46.292145
where:
bonds (distance) C4'-P energy: -9.669
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -10.627
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -6.038
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: 1
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -78.609458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.609458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.609458 (E_RNA)
where:
Base-Base interactions energy: -38.013
where: short stacking energy: -16.027
Base-Backbone interact. energy: -0.130
local terms energy: -40.465844
where:
bonds (distance) C4'-P energy: -8.274
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -10.099
flat angles P-C4'-P energy: -5.482
tors. eta vs tors. theta energy: -3.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -75.519090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.519090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.519090 (E_RNA)
where:
Base-Base interactions energy: -27.453
where: short stacking energy: -19.219
Base-Backbone interact. energy: -0.007
local terms energy: -48.059039
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -8.150
flat angles P-C4'-P energy: -7.446
tors. eta vs tors. theta energy: -9.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -60.383997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.383997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.383997 (E_RNA)
where:
Base-Base interactions energy: -22.792
where: short stacking energy: -20.532
Base-Backbone interact. energy: -0.031
local terms energy: -37.560952
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -9.119
flat angles C4'-P-C4' energy: -5.715
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -5.358
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: 10, replica: 9
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -71.566607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.566607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.566607 (E_RNA)
where:
Base-Base interactions energy: -36.014
where: short stacking energy: -16.706
Base-Backbone interact. energy: -0.120
local terms energy: -35.432403
where:
bonds (distance) C4'-P energy: -9.623
bonds (distance) P-C4' energy: -10.912
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -6.194
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: 8
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -141.605249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.605249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.605249 (E_RNA)
where:
Base-Base interactions energy: -92.376
where: short stacking energy: -31.422
Base-Backbone interact. energy: -0.511
local terms energy: -48.718159
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -9.308
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -8.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -135.602338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.602338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.602338 (E_RNA)
where:
Base-Base interactions energy: -81.013
where: short stacking energy: -34.108
Base-Backbone interact. energy: -0.838
local terms energy: -53.751838
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -9.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -93.025698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.025698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.025698 (E_RNA)
where:
Base-Base interactions energy: -44.206
where: short stacking energy: -31.488
Base-Backbone interact. energy: -0.001
local terms energy: -48.818750
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -5.643
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: 10
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -83.514969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.514969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.514969 (E_RNA)
where:
Base-Base interactions energy: -33.156
where: short stacking energy: -21.059
Base-Backbone interact. energy: -0.058
local terms energy: -50.301021
where:
bonds (distance) C4'-P energy: -9.556
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -6.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -74.661008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.661008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.661008 (E_RNA)
where:
Base-Base interactions energy: -28.079
where: short stacking energy: -28.079
Base-Backbone interact. energy: -0.000
local terms energy: -46.581984
where:
bonds (distance) C4'-P energy: -8.100
bonds (distance) P-C4' energy: -10.659
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -6.171
tors. eta vs tors. theta energy: -10.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -86.199500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.199500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.199500 (E_RNA)
where:
Base-Base interactions energy: -47.126
where: short stacking energy: -26.952
Base-Backbone interact. energy: -0.960
local terms energy: -38.113472
where:
bonds (distance) C4'-P energy: -8.848
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -6.455
flat angles P-C4'-P energy: -6.913
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: 7, replica: 7
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -69.509070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.509070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.509070 (E_RNA)
where:
Base-Base interactions energy: -22.946
where: short stacking energy: -20.824
Base-Backbone interact. energy: -0.235
local terms energy: -46.328969
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -11.180
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: -5.280
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: 2
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -56.997884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.997884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.997884 (E_RNA)
where:
Base-Base interactions energy: -13.430
where: short stacking energy: -13.239
Base-Backbone interact. energy: -0.013
local terms energy: -43.554461
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -10.039
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -3.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -60.517486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.517486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.517486 (E_RNA)
where:
Base-Base interactions energy: -24.981
where: short stacking energy: -18.026
Base-Backbone interact. energy: -0.010
local terms energy: -35.526042
where:
bonds (distance) C4'-P energy: -8.689
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -9.156
flat angles P-C4'-P energy: -4.388
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: 10, replica: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -62.696032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.696032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.696032 (E_RNA)
where:
Base-Base interactions energy: -23.794
where: short stacking energy: -22.839
Base-Backbone interact. energy: -0.006
local terms energy: -38.895768
where:
bonds (distance) C4'-P energy: -7.491
bonds (distance) P-C4' energy: -10.552
flat angles C4'-P-C4' energy: -7.959
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -6.160
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: 8
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -142.615779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.615779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.615779 (E_RNA)
where:
Base-Base interactions energy: -93.145
where: short stacking energy: -37.062
Base-Backbone interact. energy: -0.677
local terms energy: -48.793911
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -11.346
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -5.287
tors. eta vs tors. theta energy: -7.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -81.297921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.297921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.297921 (E_RNA)
where:
Base-Base interactions energy: -42.247
where: short stacking energy: -23.493
Base-Backbone interact. energy: 0.926
local terms energy: -39.977414
where:
bonds (distance) C4'-P energy: -10.500
bonds (distance) P-C4' energy: -9.862
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: -1.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -112.847959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.847959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.847959 (E_RNA)
where:
Base-Base interactions energy: -67.028
where: short stacking energy: -26.258
Base-Backbone interact. energy: -0.208
local terms energy: -45.611209
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -10.026
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -5.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -73.429117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.429117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.429117 (E_RNA)
where:
Base-Base interactions energy: -35.215
where: short stacking energy: -18.536
Base-Backbone interact. energy: -0.316
local terms energy: -37.898686
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -7.748
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -1.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -76.889198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.889198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.889198 (E_RNA)
where:
Base-Base interactions energy: -32.560
where: short stacking energy: -18.785
Base-Backbone interact. energy: -0.013
local terms energy: -44.316263
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -11.210
flat angles C4'-P-C4' energy: -10.610
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -2.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -72.187594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.187594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.187594 (E_RNA)
where:
Base-Base interactions energy: -25.734
where: short stacking energy: -18.995
Base-Backbone interact. energy: -0.090
local terms energy: -46.363288
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -10.882
flat angles C4'-P-C4' energy: -10.141
flat angles P-C4'-P energy: -9.442
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: 7, replica: 2
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -65.258951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.258951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.258951 (E_RNA)
where:
Base-Base interactions energy: -31.091
where: short stacking energy: -29.946
Base-Backbone interact. energy: -0.148
local terms energy: -34.019608
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -7.946
flat angles P-C4'-P energy: 1.554
tors. eta vs tors. theta energy: -4.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -72.772619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.772619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.772619 (E_RNA)
where:
Base-Base interactions energy: -29.695
where: short stacking energy: -29.012
Base-Backbone interact. energy: -0.000
local terms energy: -43.077787
where:
bonds (distance) C4'-P energy: -10.259
bonds (distance) P-C4' energy: -9.358
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -6.111
tors. eta vs tors. theta energy: -5.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -54.832221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.832221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.832221 (E_RNA)
where:
Base-Base interactions energy: -19.863
where: short stacking energy: -17.560
Base-Backbone interact. energy: -0.510
local terms energy: -34.459752
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -9.243
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -0.377
tors. eta vs tors. theta energy: -3.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -55.834025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.834025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.834025 (E_RNA)
where:
Base-Base interactions energy: -21.809
where: short stacking energy: -10.738
Base-Backbone interact. energy: -0.037
local terms energy: -33.988290
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -6.139
flat angles C4'-P-C4' energy: -8.105
flat angles P-C4'-P energy: -5.738
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: 1, replica: 8
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -141.563866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.563866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.563866 (E_RNA)
where:
Base-Base interactions energy: -94.945
where: short stacking energy: -36.596
Base-Backbone interact. energy: -0.690
local terms energy: -45.928877
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -10.038
flat angles P-C4'-P energy: -3.984
tors. eta vs tors. theta energy: -9.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -118.056923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.056923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.056923 (E_RNA)
where:
Base-Base interactions energy: -69.499
where: short stacking energy: -42.386
Base-Backbone interact. energy: -0.337
local terms energy: -48.220803
where:
bonds (distance) C4'-P energy: -7.435
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -8.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -71.146044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.146044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.146044 (E_RNA)
where:
Base-Base interactions energy: -27.522
where: short stacking energy: -22.804
Base-Backbone interact. energy: -0.259
local terms energy: -43.365052
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -11.751
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -6.177
tors. eta vs tors. theta energy: -1.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -89.939772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.939772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.939772 (E_RNA)
where:
Base-Base interactions energy: -48.329
where: short stacking energy: -31.939
Base-Backbone interact. energy: -0.015
local terms energy: -41.595371
where:
bonds (distance) C4'-P energy: -8.584
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -6.899
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -5.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -74.238543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.238543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.238543 (E_RNA)
where:
Base-Base interactions energy: -32.216
where: short stacking energy: -20.559
Base-Backbone interact. energy: -0.018
local terms energy: -42.004866
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -11.444
flat angles C4'-P-C4' energy: -7.558
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -4.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -84.203702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.203702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.203702 (E_RNA)
where:
Base-Base interactions energy: -41.609
where: short stacking energy: -17.389
Base-Backbone interact. energy: 0.239
local terms energy: -42.833511
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -9.971
flat angles C4'-P-C4' energy: -10.139
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -1.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -69.064247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.064247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.064247 (E_RNA)
where:
Base-Base interactions energy: -24.369
where: short stacking energy: -21.827
Base-Backbone interact. energy: -0.095
local terms energy: -44.600351
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -9.758
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -4.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -57.428604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.428604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.428604 (E_RNA)
where:
Base-Base interactions energy: -27.511
where: short stacking energy: -17.237
Base-Backbone interact. energy: -0.031
local terms energy: -29.886678
where:
bonds (distance) C4'-P energy: -7.093
bonds (distance) P-C4' energy: -6.187
flat angles C4'-P-C4' energy: -9.988
flat angles P-C4'-P energy: -5.138
tors. eta vs tors. theta energy: -1.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -67.294658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.294658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.294658 (E_RNA)
where:
Base-Base interactions energy: -28.308
where: short stacking energy: -13.732
Base-Backbone interact. energy: -0.266
local terms energy: -38.720373
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -6.685
flat angles C4'-P-C4' energy: -9.540
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -2.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -56.102439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.102439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.102439 (E_RNA)
where:
Base-Base interactions energy: -17.420
where: short stacking energy: -12.647
Base-Backbone interact. energy: -0.001
local terms energy: -38.681023
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -6.764
flat angles P-C4'-P energy: -7.788
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: 382
Temperature: 0.900000
Total energy: -123.350343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.350343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.350343 (E_RNA)
where:
Base-Base interactions energy: -75.230
where: short stacking energy: -39.957
Base-Backbone interact. energy: 1.968
local terms energy: -50.087969
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -11.168
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -6.442
tors. eta vs tors. theta energy: -8.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -135.282534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.282534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.282534 (E_RNA)
where:
Base-Base interactions energy: -88.383
where: short stacking energy: -32.863
Base-Backbone interact. energy: -0.102
local terms energy: -46.797567
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -11.449
flat angles C4'-P-C4' energy: -8.895
flat angles P-C4'-P energy: -6.000
tors. eta vs tors. theta energy: -8.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -73.082522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.082522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.082522 (E_RNA)
where:
Base-Base interactions energy: -32.777
where: short stacking energy: -19.870
Base-Backbone interact. energy: -0.072
local terms energy: -40.233010
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -9.245
flat angles C4'-P-C4' energy: -10.718
flat angles P-C4'-P energy: -4.889
tors. eta vs tors. theta energy: -3.125
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: 6
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -78.861593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.861593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.861593 (E_RNA)
where:
Base-Base interactions energy: -32.303
where: short stacking energy: -24.151
Base-Backbone interact. energy: -0.147
local terms energy: -46.411570
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -10.743
flat angles C4'-P-C4' energy: -10.222
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -6.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -67.788748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.788748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.788748 (E_RNA)
where:
Base-Base interactions energy: -21.986
where: short stacking energy: -20.106
Base-Backbone interact. energy: -0.013
local terms energy: -45.789950
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -10.070
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -6.288
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: 5
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -69.487581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.487581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.487581 (E_RNA)
where:
Base-Base interactions energy: -23.440
where: short stacking energy: -23.346
Base-Backbone interact. energy: -0.102
local terms energy: -45.946396
where:
bonds (distance) C4'-P energy: -7.895
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -6.639
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: 7, replica: 9
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -76.120166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.120166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.120166 (E_RNA)
where:
Base-Base interactions energy: -33.781
where: short stacking energy: -27.991
Base-Backbone interact. energy: -0.072
local terms energy: -42.267853
where:
bonds (distance) C4'-P energy: -9.424
bonds (distance) P-C4' energy: -8.793
flat angles C4'-P-C4' energy: -8.594
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -7.255
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: 1
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -58.294484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.294484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.294484 (E_RNA)
where:
Base-Base interactions energy: -20.794
where: short stacking energy: -12.625
Base-Backbone interact. energy: -0.041
local terms energy: -37.459444
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -9.171
flat angles P-C4'-P energy: -5.988
tors. eta vs tors. theta energy: 0.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -55.804514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.804514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.804514 (E_RNA)
where:
Base-Base interactions energy: -24.636
where: short stacking energy: -16.868
Base-Backbone interact. energy: -0.368
local terms energy: -30.799640
where:
bonds (distance) C4'-P energy: -9.630
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -9.882
flat angles P-C4'-P energy: -5.054
tors. eta vs tors. theta energy: 4.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -53.142043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.142043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.142043 (E_RNA)
where:
Base-Base interactions energy: -14.247
where: short stacking energy: -10.289
Base-Backbone interact. energy: -1.003
local terms energy: -37.891649
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -9.971
flat angles P-C4'-P energy: -5.064
tors. eta vs tors. theta energy: -0.056
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: 1, replica: 10
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -107.116697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.116697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.116697 (E_RNA)
where:
Base-Base interactions energy: -59.763
where: short stacking energy: -29.898
Base-Backbone interact. energy: -0.004
local terms energy: -47.350653
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -10.802
flat angles P-C4'-P energy: -8.149
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: 2, replica: 8
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -144.915968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.915968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.915968 (E_RNA)
where:
Base-Base interactions energy: -98.191
where: short stacking energy: -42.780
Base-Backbone interact. energy: -0.354
local terms energy: -46.370984
where:
bonds (distance) C4'-P energy: -8.795
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -5.401
tors. eta vs tors. theta energy: -9.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -86.130529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.130529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.130529 (E_RNA)
where:
Base-Base interactions energy: -42.459
where: short stacking energy: -29.107
Base-Backbone interact. energy: -0.282
local terms energy: -43.388815
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -10.591
flat angles C4'-P-C4' energy: -7.538
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -6.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -84.431315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.431315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.431315 (E_RNA)
where:
Base-Base interactions energy: -43.107
where: short stacking energy: -25.202
Base-Backbone interact. energy: -0.790
local terms energy: -40.534189
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -9.291
flat angles C4'-P-C4' energy: -7.990
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -3.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -68.224780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.224780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.224780 (E_RNA)
where:
Base-Base interactions energy: -24.402
where: short stacking energy: -17.676
Base-Backbone interact. energy: -0.104
local terms energy: -43.719236
where:
bonds (distance) C4'-P energy: -10.127
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -5.525
tors. eta vs tors. theta energy: -5.779
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: 5
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -72.192591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.192591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.192591 (E_RNA)
where:
Base-Base interactions energy: -27.449
where: short stacking energy: -20.997
Base-Backbone interact. energy: -0.189
local terms energy: -44.555227
where:
bonds (distance) C4'-P energy: -10.801
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -6.456
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -7.525
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: 9
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -63.027144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.027144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.027144 (E_RNA)
where:
Base-Base interactions energy: -31.642
where: short stacking energy: -25.847
Base-Backbone interact. energy: -0.107
local terms energy: -31.278104
where:
bonds (distance) C4'-P energy: -8.857
bonds (distance) P-C4' energy: -9.541
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -3.343
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: 8, replica: 3
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -53.801996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.801996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.801996 (E_RNA)
where:
Base-Base interactions energy: -14.896
where: short stacking energy: -14.896
Base-Backbone interact. energy: -0.215
local terms energy: -38.691462
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -12.664
flat angles C4'-P-C4' energy: -6.574
flat angles P-C4'-P energy: -5.958
tors. eta vs tors. theta energy: -1.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -59.251202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.251202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.251202 (E_RNA)
where:
Base-Base interactions energy: -34.969
where: short stacking energy: -27.109
Base-Backbone interact. energy: -0.106
local terms energy: -24.176763
where:
bonds (distance) C4'-P energy: -2.522
bonds (distance) P-C4' energy: -10.244
flat angles C4'-P-C4' energy: -5.572
flat angles P-C4'-P energy: -1.160
tors. eta vs tors. theta energy: -4.678
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: 10, replica: 7
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -50.153636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.153636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.153636 (E_RNA)
where:
Base-Base interactions energy: -12.785
where: short stacking energy: -12.785
Base-Backbone interact. energy: -0.118
local terms energy: -37.250145
where:
bonds (distance) C4'-P energy: -8.989
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -8.335
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: 0.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -146.688694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.688694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.688694 (E_RNA)
where:
Base-Base interactions energy: -98.019
where: short stacking energy: -43.536
Base-Backbone interact. energy: 0.484
local terms energy: -49.154353
where:
bonds (distance) C4'-P energy: -9.138
bonds (distance) P-C4' energy: -9.517
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -5.228
tors. eta vs tors. theta energy: -12.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -109.835836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.835836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.835836 (E_RNA)
where:
Base-Base interactions energy: -65.812
where: short stacking energy: -28.176
Base-Backbone interact. energy: -0.828
local terms energy: -43.196592
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -6.001
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -5.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -108.006331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.006331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.006331 (E_RNA)
where:
Base-Base interactions energy: -61.754
where: short stacking energy: -31.505
Base-Backbone interact. energy: -0.003
local terms energy: -46.248939
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -8.864
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -6.252
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: 4
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -68.893943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.893943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.893943 (E_RNA)
where:
Base-Base interactions energy: -31.098
where: short stacking energy: -29.413
Base-Backbone interact. energy: -0.105
local terms energy: -37.690710
where:
bonds (distance) C4'-P energy: -8.509
bonds (distance) P-C4' energy: -5.410
flat angles C4'-P-C4' energy: -9.566
flat angles P-C4'-P energy: -9.148
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: 5, replica: 6
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -65.922752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.922752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.922752 (E_RNA)
where:
Base-Base interactions energy: -25.835
where: short stacking energy: -15.971
Base-Backbone interact. energy: -0.187
local terms energy: -39.900653
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -3.454
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: 6, replica: 5
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -74.438553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.438553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.438553 (E_RNA)
where:
Base-Base interactions energy: -34.895
where: short stacking energy: -18.929
Base-Backbone interact. energy: -0.088
local terms energy: -39.455143
where:
bonds (distance) C4'-P energy: -7.686
bonds (distance) P-C4' energy: -9.842
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -5.908
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: 7, replica: 3
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -64.231088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.231088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.231088 (E_RNA)
where:
Base-Base interactions energy: -24.428
where: short stacking energy: -14.944
Base-Backbone interact. energy: -0.083
local terms energy: -39.720182
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -8.881
flat angles P-C4'-P energy: -6.087
tors. eta vs tors. theta energy: -0.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -61.356023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.356023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.356023 (E_RNA)
where:
Base-Base interactions energy: -28.410
where: short stacking energy: -12.207
Base-Backbone interact. energy: -0.133
local terms energy: -32.813078
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -6.247
flat angles C4'-P-C4' energy: -1.788
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -2.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -67.160535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.160535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.160535 (E_RNA)
where:
Base-Base interactions energy: -28.449
where: short stacking energy: -24.837
Base-Backbone interact. energy: -0.046
local terms energy: -38.665502
where:
bonds (distance) C4'-P energy: -9.012
bonds (distance) P-C4' energy: -6.802
flat angles C4'-P-C4' energy: -10.450
flat angles P-C4'-P energy: -6.722
tors. eta vs tors. theta energy: -5.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -58.746520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.746520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.746520 (E_RNA)
where:
Base-Base interactions energy: -24.921
where: short stacking energy: -18.058
Base-Backbone interact. energy: -0.006
local terms energy: -33.819744
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -10.133
flat angles C4'-P-C4' energy: -6.467
flat angles P-C4'-P energy: -3.393
tors. eta vs tors. theta energy: -1.538
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: 8
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -148.179544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.179544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.179544 (E_RNA)
where:
Base-Base interactions energy: -96.975
where: short stacking energy: -43.471
Base-Backbone interact. energy: -0.206
local terms energy: -50.997966
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -11.340
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -5.974
tors. eta vs tors. theta energy: -10.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -108.140898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.140898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.140898 (E_RNA)
where:
Base-Base interactions energy: -60.364
where: short stacking energy: -30.822
Base-Backbone interact. energy: -0.108
local terms energy: -47.668607
where:
bonds (distance) C4'-P energy: -9.647
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -10.165
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -6.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -100.336053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.336053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.336053 (E_RNA)
where:
Base-Base interactions energy: -51.804
where: short stacking energy: -31.123
Base-Backbone interact. energy: -0.486
local terms energy: -48.046073
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -4.924
tors. eta vs tors. theta energy: -7.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -83.222622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.222622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.222622 (E_RNA)
where:
Base-Base interactions energy: -36.237
where: short stacking energy: -30.136
Base-Backbone interact. energy: -0.437
local terms energy: -46.549214
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -4.430
tors. eta vs tors. theta energy: -5.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -69.708539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.708539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.708539 (E_RNA)
where:
Base-Base interactions energy: -32.090
where: short stacking energy: -19.387
Base-Backbone interact. energy: -0.061
local terms energy: -37.557687
where:
bonds (distance) C4'-P energy: -8.827
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -12.008
flat angles P-C4'-P energy: -2.874
tors. eta vs tors. theta energy: -1.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -83.039561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.039561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.039561 (E_RNA)
where:
Base-Base interactions energy: -45.465
where: short stacking energy: -29.135
Base-Backbone interact. energy: -0.012
local terms energy: -37.562865
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -9.414
flat angles C4'-P-C4' energy: -6.116
flat angles P-C4'-P energy: -2.251
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: 7, replica: 5
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -67.315140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.315140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.315140 (E_RNA)
where:
Base-Base interactions energy: -28.677
where: short stacking energy: -21.757
Base-Backbone interact. energy: -0.348
local terms energy: -38.290380
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -8.686
flat angles C4'-P-C4' energy: -10.079
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -1.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -60.659075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.659075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.659075 (E_RNA)
where:
Base-Base interactions energy: -27.259
where: short stacking energy: -17.872
Base-Backbone interact. energy: 1.228
local terms energy: -34.628490
where:
bonds (distance) C4'-P energy: -8.395
bonds (distance) P-C4' energy: -10.100
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -2.023
tors. eta vs tors. theta energy: -1.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -61.118043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.118043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.118043 (E_RNA)
where:
Base-Base interactions energy: -24.682
where: short stacking energy: -24.682
Base-Backbone interact. energy: -0.095
local terms energy: -36.340740
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -9.441
flat angles C4'-P-C4' energy: -7.537
flat angles P-C4'-P energy: -3.449
tors. eta vs tors. theta energy: -4.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -58.264639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.264639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.264639 (E_RNA)
where:
Base-Base interactions energy: -23.787
where: short stacking energy: -16.100
Base-Backbone interact. energy: -0.064
local terms energy: -34.413378
where:
bonds (distance) C4'-P energy: -9.280
bonds (distance) P-C4' energy: -9.139
flat angles C4'-P-C4' energy: -8.453
flat angles P-C4'-P energy: -9.379
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: 8
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -135.957057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.957057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.957057 (E_RNA)
where:
Base-Base interactions energy: -87.938
where: short stacking energy: -29.440
Base-Backbone interact. energy: -0.814
local terms energy: -47.204984
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -8.693
flat angles P-C4'-P energy: -6.026
tors. eta vs tors. theta energy: -9.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -112.447609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.447609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.447609 (E_RNA)
where:
Base-Base interactions energy: -63.359
where: short stacking energy: -42.157
Base-Backbone interact. energy: 0.543
local terms energy: -49.632198
where:
bonds (distance) C4'-P energy: -10.640
bonds (distance) P-C4' energy: -8.999
flat angles C4'-P-C4' energy: -9.029
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -12.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -90.279346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.279346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.279346 (E_RNA)
where:
Base-Base interactions energy: -47.892
where: short stacking energy: -33.035
Base-Backbone interact. energy: -0.483
local terms energy: -41.904193
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -9.443
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: -3.970
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: 2
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -100.234500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.234500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.234500 (E_RNA)
where:
Base-Base interactions energy: -57.433
where: short stacking energy: -24.963
Base-Backbone interact. energy: 0.374
local terms energy: -43.176000
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -7.975
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: 5, replica: 3
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -60.691792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.691792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.691792 (E_RNA)
where:
Base-Base interactions energy: -26.936
where: short stacking energy: -20.656
Base-Backbone interact. energy: -0.052
local terms energy: -33.703985
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -10.907
flat angles C4'-P-C4' energy: -9.826
flat angles P-C4'-P energy: -6.130
tors. eta vs tors. theta energy: 2.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -68.217878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.217878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.217878 (E_RNA)
where:
Base-Base interactions energy: -27.520
where: short stacking energy: -27.520
Base-Backbone interact. energy: -0.107
local terms energy: -40.591145
where:
bonds (distance) C4'-P energy: -9.504
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -10.462
flat angles P-C4'-P energy: -4.663
tors. eta vs tors. theta energy: -4.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -75.011893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.011893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.011893 (E_RNA)
where:
Base-Base interactions energy: -39.318
where: short stacking energy: -33.068
Base-Backbone interact. energy: -0.002
local terms energy: -35.691476
where:
bonds (distance) C4'-P energy: -8.281
bonds (distance) P-C4' energy: -9.044
flat angles C4'-P-C4' energy: -8.437
flat angles P-C4'-P energy: -0.919
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: 8, replica: 5
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -61.767403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.767403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.767403 (E_RNA)
where:
Base-Base interactions energy: -26.107
where: short stacking energy: -17.645
Base-Backbone interact. energy: -0.670
local terms energy: -34.990309
where:
bonds (distance) C4'-P energy: -4.096
bonds (distance) P-C4' energy: -8.451
flat angles C4'-P-C4' energy: -9.313
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -5.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -56.936194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.936194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.936194 (E_RNA)
where:
Base-Base interactions energy: -17.208
where: short stacking energy: -14.511
Base-Backbone interact. energy: -0.110
local terms energy: -39.618975
where:
bonds (distance) C4'-P energy: -7.511
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -10.019
flat angles P-C4'-P energy: -7.784
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: 1
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -55.438234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.438234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.438234 (E_RNA)
where:
Base-Base interactions energy: -18.176
where: short stacking energy: -13.099
Base-Backbone interact. energy: -0.167
local terms energy: -37.094963
where:
bonds (distance) C4'-P energy: -9.334
bonds (distance) P-C4' energy: -9.699
flat angles C4'-P-C4' energy: -8.373
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -2.679
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: 1, replica: 8
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -137.842164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.842164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.842164 (E_RNA)
where:
Base-Base interactions energy: -84.133
where: short stacking energy: -33.067
Base-Backbone interact. energy: -0.460
local terms energy: -53.248932
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -11.032
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -8.419
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: 387
Temperature: 0.950000
Total energy: -124.466481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.466481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.466481 (E_RNA)
where:
Base-Base interactions energy: -73.493
where: short stacking energy: -39.424
Base-Backbone interact. energy: -0.081
local terms energy: -50.892417
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -11.071
flat angles C4'-P-C4' energy: -9.488
flat angles P-C4'-P energy: -5.776
tors. eta vs tors. theta energy: -11.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -91.211445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.211445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.211445 (E_RNA)
where:
Base-Base interactions energy: -38.781
where: short stacking energy: -34.714
Base-Backbone interact. energy: -0.004
local terms energy: -52.426351
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -12.312
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -8.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -99.403211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.403211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.403211 (E_RNA)
where:
Base-Base interactions energy: -56.808
where: short stacking energy: -24.097
Base-Backbone interact. energy: -0.124
local terms energy: -42.471560
where:
bonds (distance) C4'-P energy: -8.679
bonds (distance) P-C4' energy: -9.716
flat angles C4'-P-C4' energy: -10.720
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -6.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -65.127658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.127658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.127658 (E_RNA)
where:
Base-Base interactions energy: -28.311
where: short stacking energy: -15.129
Base-Backbone interact. energy: -0.176
local terms energy: -36.640321
where:
bonds (distance) C4'-P energy: -4.476
bonds (distance) P-C4' energy: -10.446
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -6.254
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: 6, replica: 9
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -62.458168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.458168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.458168 (E_RNA)
where:
Base-Base interactions energy: -26.202
where: short stacking energy: -18.548
Base-Backbone interact. energy: -0.217
local terms energy: -36.038437
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -9.270
flat angles C4'-P-C4' energy: -7.664
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -1.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -66.176838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.176838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.176838 (E_RNA)
where:
Base-Base interactions energy: -36.527
where: short stacking energy: -14.333
Base-Backbone interact. energy: -0.366
local terms energy: -29.284465
where:
bonds (distance) C4'-P energy: -8.447
bonds (distance) P-C4' energy: -9.541
flat angles C4'-P-C4' energy: -9.909
flat angles P-C4'-P energy: -3.860
tors. eta vs tors. theta energy: 2.473
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: 7
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -57.989887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.989887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.989887 (E_RNA)
where:
Base-Base interactions energy: -17.955
where: short stacking energy: -15.723
Base-Backbone interact. energy: 0.908
local terms energy: -40.942931
where:
bonds (distance) C4'-P energy: -8.563
bonds (distance) P-C4' energy: -11.095
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -0.499
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: 9, replica: 5
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -52.748107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.748107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.748107 (E_RNA)
where:
Base-Base interactions energy: -16.928
where: short stacking energy: -14.976
Base-Backbone interact. energy: -0.220
local terms energy: -35.600370
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -8.585
flat angles P-C4'-P energy: -0.220
tors. eta vs tors. theta energy: -2.723
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: 1
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -62.321618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.321618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.321618 (E_RNA)
where:
Base-Base interactions energy: -24.352
where: short stacking energy: -24.081
Base-Backbone interact. energy: -0.029
local terms energy: -37.940508
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -10.407
flat angles C4'-P-C4' energy: -11.166
flat angles P-C4'-P energy: -3.911
tors. eta vs tors. theta energy: -0.126
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: 10
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -130.780768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.780768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.780768 (E_RNA)
where:
Base-Base interactions energy: -83.518
where: short stacking energy: -33.991
Base-Backbone interact. energy: -0.189
local terms energy: -47.074474
where:
bonds (distance) C4'-P energy: -6.882
bonds (distance) P-C4' energy: -10.447
flat angles C4'-P-C4' energy: -10.336
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -11.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -138.263748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.263748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.263748 (E_RNA)
where:
Base-Base interactions energy: -87.309
where: short stacking energy: -32.115
Base-Backbone interact. energy: -1.008
local terms energy: -49.946117
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -6.461
tors. eta vs tors. theta energy: -8.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -97.117376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.117376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.117376 (E_RNA)
where:
Base-Base interactions energy: -59.544
where: short stacking energy: -40.625
Base-Backbone interact. energy: 0.187
local terms energy: -37.760397
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -9.173
flat angles C4'-P-C4' energy: -8.398
flat angles P-C4'-P energy: -1.647
tors. eta vs tors. theta energy: -8.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -86.200331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.200331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.200331 (E_RNA)
where:
Base-Base interactions energy: -40.268
where: short stacking energy: -31.617
Base-Backbone interact. energy: -0.088
local terms energy: -45.844991
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -11.149
flat angles P-C4'-P energy: -5.252
tors. eta vs tors. theta energy: -5.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -84.024678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.024678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.024678 (E_RNA)
where:
Base-Base interactions energy: -33.872
where: short stacking energy: -28.908
Base-Backbone interact. energy: -0.002
local terms energy: -50.150947
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -5.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -71.790863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.790863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.790863 (E_RNA)
where:
Base-Base interactions energy: -30.196
where: short stacking energy: -21.172
Base-Backbone interact. energy: 0.307
local terms energy: -41.902415
where:
bonds (distance) C4'-P energy: -8.863
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -7.756
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -6.455
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: 7
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -64.310232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.310232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.310232 (E_RNA)
where:
Base-Base interactions energy: -22.225
where: short stacking energy: -14.125
Base-Backbone interact. energy: -0.061
local terms energy: -42.024888
where:
bonds (distance) C4'-P energy: -8.765
bonds (distance) P-C4' energy: -10.327
flat angles C4'-P-C4' energy: -9.058
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -5.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -65.449936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.449936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.449936 (E_RNA)
where:
Base-Base interactions energy: -31.249
where: short stacking energy: -15.346
Base-Backbone interact. energy: -0.693
local terms energy: -33.507495
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -6.882
flat angles C4'-P-C4' energy: -8.189
flat angles P-C4'-P energy: -5.299
tors. eta vs tors. theta energy: -2.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -80.140325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.140325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.140325 (E_RNA)
where:
Base-Base interactions energy: -40.237
where: short stacking energy: -16.899
Base-Backbone interact. energy: -0.216
local terms energy: -39.686608
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -9.079
flat angles P-C4'-P energy: -3.684
tors. eta vs tors. theta energy: -3.715
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: 5
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -52.856246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.856246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.856246 (E_RNA)
where:
Base-Base interactions energy: -20.213
where: short stacking energy: -14.051
Base-Backbone interact. energy: -0.244
local terms energy: -32.399553
where:
bonds (distance) C4'-P energy: -7.888
bonds (distance) P-C4' energy: -10.771
flat angles C4'-P-C4' energy: -8.661
flat angles P-C4'-P energy: -4.662
tors. eta vs tors. theta energy: -0.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -136.607064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.607064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.607064 (E_RNA)
where:
Base-Base interactions energy: -81.863
where: short stacking energy: -34.598
Base-Backbone interact. energy: -0.050
local terms energy: -54.694591
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -10.752
flat angles C4'-P-C4' energy: -10.481
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -13.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -93.707702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.707702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.707702 (E_RNA)
where:
Base-Base interactions energy: -49.588
where: short stacking energy: -21.745
Base-Backbone interact. energy: -0.454
local terms energy: -43.665592
where:
bonds (distance) C4'-P energy: -8.012
bonds (distance) P-C4' energy: -11.041
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -4.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -116.901080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.901080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.901080 (E_RNA)
where:
Base-Base interactions energy: -70.586
where: short stacking energy: -36.932
Base-Backbone interact. energy: -0.475
local terms energy: -45.839920
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -8.684
flat angles P-C4'-P energy: -5.894
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: 4, replica: 9
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -79.213091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.213091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.213091 (E_RNA)
where:
Base-Base interactions energy: -36.299
where: short stacking energy: -21.042
Base-Backbone interact. energy: -1.929
local terms energy: -40.984441
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -8.296
flat angles P-C4'-P energy: -6.493
tors. eta vs tors. theta energy: -3.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -77.240275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.240275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.240275 (E_RNA)
where:
Base-Base interactions energy: -28.505
where: short stacking energy: -23.579
Base-Backbone interact. energy: -0.007
local terms energy: -48.729168
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -9.120
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -6.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -68.591030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.591030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.591030 (E_RNA)
where:
Base-Base interactions energy: -28.946
where: short stacking energy: -28.946
Base-Backbone interact. energy: -0.010
local terms energy: -39.635097
where:
bonds (distance) C4'-P energy: -8.050
bonds (distance) P-C4' energy: -10.000
flat angles C4'-P-C4' energy: -7.769
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -6.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -65.162473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.162473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.162473 (E_RNA)
where:
Base-Base interactions energy: -19.382
where: short stacking energy: -18.465
Base-Backbone interact. energy: -0.154
local terms energy: -45.626623
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -6.450
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: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -71.296957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.296957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.296957 (E_RNA)
where:
Base-Base interactions energy: -31.850
where: short stacking energy: -14.465
Base-Backbone interact. energy: -0.596
local terms energy: -38.850440
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -6.228
flat angles P-C4'-P energy: -5.143
tors. eta vs tors. theta energy: -3.853
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: 4
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -56.599596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.599596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.599596 (E_RNA)
where:
Base-Base interactions energy: -21.564
where: short stacking energy: -12.998
Base-Backbone interact. energy: 0.077
local terms energy: -35.112884
where:
bonds (distance) C4'-P energy: -7.851
bonds (distance) P-C4' energy: -8.259
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -7.664
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: 10, replica: 5
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -58.954067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.954067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.954067 (E_RNA)
where:
Base-Base interactions energy: -16.311
where: short stacking energy: -15.822
Base-Backbone interact. energy: -0.007
local terms energy: -42.636201
where:
bonds (distance) C4'-P energy: -10.951
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -9.666
flat angles P-C4'-P energy: -6.692
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: 1, replica: 10
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -134.625775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.625775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.625775 (E_RNA)
where:
Base-Base interactions energy: -82.477
where: short stacking energy: -34.786
Base-Backbone interact. energy: -0.004
local terms energy: -52.145367
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -10.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -101.219239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.219239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.219239 (E_RNA)
where:
Base-Base interactions energy: -56.597
where: short stacking energy: -28.279
Base-Backbone interact. energy: -0.180
local terms energy: -44.442045
where:
bonds (distance) C4'-P energy: -9.482
bonds (distance) P-C4' energy: -8.921
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -8.121
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: 3, replica: 8
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -103.271437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.271437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.271437 (E_RNA)
where:
Base-Base interactions energy: -61.955
where: short stacking energy: -31.854
Base-Backbone interact. energy: -0.103
local terms energy: -41.213842
where:
bonds (distance) C4'-P energy: -7.598
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: -3.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -93.019274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.019274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.019274 (E_RNA)
where:
Base-Base interactions energy: -42.232
where: short stacking energy: -27.505
Base-Backbone interact. energy: -0.275
local terms energy: -50.511855
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: -6.404
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: 5, replica: 7
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -71.234607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.234607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.234607 (E_RNA)
where:
Base-Base interactions energy: -29.375
where: short stacking energy: -20.297
Base-Backbone interact. energy: 1.003
local terms energy: -42.862229
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -6.520
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -3.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -69.516147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.516147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.516147 (E_RNA)
where:
Base-Base interactions energy: -28.241
where: short stacking energy: -20.519
Base-Backbone interact. energy: -0.363
local terms energy: -40.911803
where:
bonds (distance) C4'-P energy: -9.610
bonds (distance) P-C4' energy: -10.179
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -1.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -64.836502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.836502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.836502 (E_RNA)
where:
Base-Base interactions energy: -25.280
where: short stacking energy: -23.137
Base-Backbone interact. energy: -0.134
local terms energy: -39.422719
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -8.082
flat angles C4'-P-C4' energy: -8.495
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -5.298
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: 8, replica: 3
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -52.521404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.521404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.521404 (E_RNA)
where:
Base-Base interactions energy: -14.088
where: short stacking energy: -8.662
Base-Backbone interact. energy: -0.101
local terms energy: -38.332395
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -13.351
flat angles C4'-P-C4' energy: -9.146
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: 4.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -54.808253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.808253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.808253 (E_RNA)
where:
Base-Base interactions energy: -28.607
where: short stacking energy: -17.296
Base-Backbone interact. energy: -0.348
local terms energy: -25.853474
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -2.889
flat angles P-C4'-P energy: -3.107
tors. eta vs tors. theta energy: 2.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -53.495729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.495729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.495729 (E_RNA)
where:
Base-Base interactions energy: -17.596
where: short stacking energy: -16.110
Base-Backbone interact. energy: -0.108
local terms energy: -35.791936
where:
bonds (distance) C4'-P energy: -7.250
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: 1.931
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: 10
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -122.162603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.162603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.162603 (E_RNA)
where:
Base-Base interactions energy: -76.540
where: short stacking energy: -38.427
Base-Backbone interact. energy: -0.009
local terms energy: -45.613053
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -9.054
flat angles P-C4'-P energy: -3.988
tors. eta vs tors. theta energy: -9.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -132.562629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.562629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.562629 (E_RNA)
where:
Base-Base interactions energy: -79.991
where: short stacking energy: -45.072
Base-Backbone interact. energy: -0.216
local terms energy: -52.354844
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -11.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -103.907310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.907310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.907310 (E_RNA)
where:
Base-Base interactions energy: -56.047
where: short stacking energy: -32.581
Base-Backbone interact. energy: -0.001
local terms energy: -47.859227
where:
bonds (distance) C4'-P energy: -10.065
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -7.645
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -9.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -81.278914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.278914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.278914 (E_RNA)
where:
Base-Base interactions energy: -32.172
where: short stacking energy: -32.172
Base-Backbone interact. energy: -0.000
local terms energy: -49.106614
where:
bonds (distance) C4'-P energy: -9.669
bonds (distance) P-C4' energy: -9.042
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -12.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -89.007212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.007212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.007212 (E_RNA)
where:
Base-Base interactions energy: -45.656
where: short stacking energy: -16.790
Base-Backbone interact. energy: -0.207
local terms energy: -43.143803
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -11.446
flat angles C4'-P-C4' energy: -10.300
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -1.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -63.237911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.237911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.237911 (E_RNA)
where:
Base-Base interactions energy: -25.447
where: short stacking energy: -21.871
Base-Backbone interact. energy: -0.184
local terms energy: -37.606580
where:
bonds (distance) C4'-P energy: -10.305
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -4.756
flat angles P-C4'-P energy: -9.215
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: 7, replica: 6
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -56.862175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.862175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.862175 (E_RNA)
where:
Base-Base interactions energy: -28.205
where: short stacking energy: -18.028
Base-Backbone interact. energy: -0.100
local terms energy: -28.557171
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -9.927
flat angles C4'-P-C4' energy: -7.695
flat angles P-C4'-P energy: -0.352
tors. eta vs tors. theta energy: 0.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -63.416649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.416649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.416649 (E_RNA)
where:
Base-Base interactions energy: -25.414
where: short stacking energy: -19.213
Base-Backbone interact. energy: 0.376
local terms energy: -38.378031
where:
bonds (distance) C4'-P energy: -8.596
bonds (distance) P-C4' energy: -7.639
flat angles C4'-P-C4' energy: -9.260
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -3.813
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: 9, replica: 3
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -60.838992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.838992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.838992 (E_RNA)
where:
Base-Base interactions energy: -22.117
where: short stacking energy: -15.658
Base-Backbone interact. energy: -0.651
local terms energy: -38.071747
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -8.233
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: 2.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -54.071162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.071162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.071162 (E_RNA)
where:
Base-Base interactions energy: -16.628
where: short stacking energy: -16.728
Base-Backbone interact. energy: -0.005
local terms energy: -37.438324
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -10.105
flat angles C4'-P-C4' energy: -8.777
flat angles P-C4'-P energy: -5.039
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: 392
Temperature: 0.900000
Total energy: -116.625158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.625158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.625158 (E_RNA)
where:
Base-Base interactions energy: -70.016
where: short stacking energy: -29.634
Base-Backbone interact. energy: -0.212
local terms energy: -46.397295
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -10.311
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -5.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -114.914469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.914469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.914469 (E_RNA)
where:
Base-Base interactions energy: -62.643
where: short stacking energy: -27.461
Base-Backbone interact. energy: 0.011
local terms energy: -52.282587
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -5.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -107.434265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.434265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.434265 (E_RNA)
where:
Base-Base interactions energy: -58.865
where: short stacking energy: -35.680
Base-Backbone interact. energy: -0.873
local terms energy: -47.696296
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -9.432
flat angles P-C4'-P energy: -5.042
tors. eta vs tors. theta energy: -9.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -71.564086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.564086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.564086 (E_RNA)
where:
Base-Base interactions energy: -27.046
where: short stacking energy: -20.333
Base-Backbone interact. energy: -0.267
local terms energy: -44.250915
where:
bonds (distance) C4'-P energy: -10.239
bonds (distance) P-C4' energy: -13.354
flat angles C4'-P-C4' energy: -9.310
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -5.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -68.450713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.450713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.450713 (E_RNA)
where:
Base-Base interactions energy: -33.767
where: short stacking energy: -18.069
Base-Backbone interact. energy: -0.175
local terms energy: -34.509251
where:
bonds (distance) C4'-P energy: -7.780
bonds (distance) P-C4' energy: -8.109
flat angles C4'-P-C4' energy: -10.665
flat angles P-C4'-P energy: -4.846
tors. eta vs tors. theta energy: -3.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -87.395106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.395106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.395106 (E_RNA)
where:
Base-Base interactions energy: -44.484
where: short stacking energy: -19.674
Base-Backbone interact. energy: -0.411
local terms energy: -42.500307
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -11.075
flat angles C4'-P-C4' energy: -11.573
flat angles P-C4'-P energy: -3.726
tors. eta vs tors. theta energy: -4.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -69.235241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.235241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.235241 (E_RNA)
where:
Base-Base interactions energy: -27.047
where: short stacking energy: -22.619
Base-Backbone interact. energy: -0.365
local terms energy: -41.823947
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -10.098
flat angles C4'-P-C4' energy: -9.804
flat angles P-C4'-P energy: -3.817
tors. eta vs tors. theta energy: -7.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -68.175036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.175036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.175036 (E_RNA)
where:
Base-Base interactions energy: -29.155
where: short stacking energy: -21.064
Base-Backbone interact. energy: -0.108
local terms energy: -38.912276
where:
bonds (distance) C4'-P energy: -9.515
bonds (distance) P-C4' energy: -9.707
flat angles C4'-P-C4' energy: -9.517
flat angles P-C4'-P energy: -6.010
tors. eta vs tors. theta energy: -4.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -52.741801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.741801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.741801 (E_RNA)
where:
Base-Base interactions energy: -18.821
where: short stacking energy: -18.821
Base-Backbone interact. energy: -0.029
local terms energy: -33.891865
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -11.504
flat angles C4'-P-C4' energy: -5.125
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: -0.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -51.890277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.890277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.890277 (E_RNA)
where:
Base-Base interactions energy: -13.857
where: short stacking energy: -13.857
Base-Backbone interact. energy: -0.619
local terms energy: -37.414531
where:
bonds (distance) C4'-P energy: -10.212
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -7.495
flat angles P-C4'-P energy: -5.237
tors. eta vs tors. theta energy: -1.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -114.450001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.450001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.450001 (E_RNA)
where:
Base-Base interactions energy: -62.503
where: short stacking energy: -26.879
Base-Backbone interact. energy: -0.198
local terms energy: -51.749631
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -6.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -107.247353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.247353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.247353 (E_RNA)
where:
Base-Base interactions energy: -58.223
where: short stacking energy: -36.399
Base-Backbone interact. energy: -0.010
local terms energy: -49.014429
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -11.261
flat angles C4'-P-C4' energy: -10.285
flat angles P-C4'-P energy: -4.933
tors. eta vs tors. theta energy: -10.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -104.349585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.349585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.349585 (E_RNA)
where:
Base-Base interactions energy: -52.092
where: short stacking energy: -31.875
Base-Backbone interact. energy: -0.081
local terms energy: -52.176049
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -11.398
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -5.600
tors. eta vs tors. theta energy: -11.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -81.068627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.068627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.068627 (E_RNA)
where:
Base-Base interactions energy: -41.674
where: short stacking energy: -29.728
Base-Backbone interact. energy: -0.022
local terms energy: -39.372465
where:
bonds (distance) C4'-P energy: -10.003
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -10.050
flat angles P-C4'-P energy: -3.844
tors. eta vs tors. theta energy: -3.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -86.723176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.723176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.723176 (E_RNA)
where:
Base-Base interactions energy: -38.438
where: short stacking energy: -38.438
Base-Backbone interact. energy: -0.682
local terms energy: -47.602901
where:
bonds (distance) C4'-P energy: -7.637
bonds (distance) P-C4' energy: -9.057
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: -12.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -77.060266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.060266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.060266 (E_RNA)
where:
Base-Base interactions energy: -37.117
where: short stacking energy: -25.575
Base-Backbone interact. energy: -0.015
local terms energy: -39.927891
where:
bonds (distance) C4'-P energy: -9.469
bonds (distance) P-C4' energy: -10.287
flat angles C4'-P-C4' energy: -9.443
flat angles P-C4'-P energy: -5.497
tors. eta vs tors. theta energy: -5.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -65.494364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.494364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.494364 (E_RNA)
where:
Base-Base interactions energy: -25.268
where: short stacking energy: -18.082
Base-Backbone interact. energy: -0.325
local terms energy: -39.901654
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -9.912
flat angles C4'-P-C4' energy: -6.177
flat angles P-C4'-P energy: -6.600
tors. eta vs tors. theta energy: -4.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -63.350812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.350812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.350812 (E_RNA)
where:
Base-Base interactions energy: -21.875
where: short stacking energy: -11.873
Base-Backbone interact. energy: 0.158
local terms energy: -41.633446
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -7.985
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -1.179
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: 6
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -51.699750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.699750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.699750 (E_RNA)
where:
Base-Base interactions energy: -14.506
where: short stacking energy: -12.829
Base-Backbone interact. energy: -0.285
local terms energy: -36.908339
where:
bonds (distance) C4'-P energy: -10.041
bonds (distance) P-C4' energy: -11.318
flat angles C4'-P-C4' energy: -10.331
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: 1.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -56.173356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.173356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.173356 (E_RNA)
where:
Base-Base interactions energy: -21.471
where: short stacking energy: -16.893
Base-Backbone interact. energy: -0.097
local terms energy: -34.605680
where:
bonds (distance) C4'-P energy: -8.899
bonds (distance) P-C4' energy: -9.869
flat angles C4'-P-C4' energy: -5.576
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -2.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -114.366948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.366948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.366948 (E_RNA)
where:
Base-Base interactions energy: -62.541
where: short stacking energy: -34.284
Base-Backbone interact. energy: -0.143
local terms energy: -51.682744
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -7.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -114.624461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.624461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.624461 (E_RNA)
where:
Base-Base interactions energy: -69.169
where: short stacking energy: -41.884
Base-Backbone interact. energy: -0.024
local terms energy: -45.432161
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -4.416
tors. eta vs tors. theta energy: -6.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -82.835781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.835781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.835781 (E_RNA)
where:
Base-Base interactions energy: -38.704
where: short stacking energy: -20.300
Base-Backbone interact. energy: -0.082
local terms energy: -44.049296
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -11.250
flat angles C4'-P-C4' energy: -9.085
flat angles P-C4'-P energy: -6.834
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: 4, replica: 10
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -86.705258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.705258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.705258 (E_RNA)
where:
Base-Base interactions energy: -44.467
where: short stacking energy: -29.444
Base-Backbone interact. energy: -0.083
local terms energy: -42.155106
where:
bonds (distance) C4'-P energy: -8.749
bonds (distance) P-C4' energy: -10.005
flat angles C4'-P-C4' energy: -9.652
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -6.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -82.839164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.839164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.839164 (E_RNA)
where:
Base-Base interactions energy: -36.571
where: short stacking energy: -36.006
Base-Backbone interact. energy: -0.085
local terms energy: -46.182795
where:
bonds (distance) C4'-P energy: -6.523
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -11.348
flat angles P-C4'-P energy: -4.816
tors. eta vs tors. theta energy: -11.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -69.589994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.589994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.589994 (E_RNA)
where:
Base-Base interactions energy: -31.585
where: short stacking energy: -29.389
Base-Backbone interact. energy: -0.186
local terms energy: -37.819132
where:
bonds (distance) C4'-P energy: -7.523
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -8.760
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: -3.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -62.293759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.293759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.293759 (E_RNA)
where:
Base-Base interactions energy: -21.095
where: short stacking energy: -18.726
Base-Backbone interact. energy: -0.147
local terms energy: -41.051207
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -8.490
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -2.549
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: 9
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -60.982791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.982791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.982791 (E_RNA)
where:
Base-Base interactions energy: -20.513
where: short stacking energy: -20.513
Base-Backbone interact. energy: -0.202
local terms energy: -40.268374
where:
bonds (distance) C4'-P energy: -7.594
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -8.536
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -4.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -60.321887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.321887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.321887 (E_RNA)
where:
Base-Base interactions energy: -16.465
where: short stacking energy: -16.465
Base-Backbone interact. energy: -0.065
local terms energy: -43.792323
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -11.024
flat angles C4'-P-C4' energy: -9.331
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -6.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -62.789447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.789447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.789447 (E_RNA)
where:
Base-Base interactions energy: -25.835
where: short stacking energy: -13.808
Base-Backbone interact. energy: 0.822
local terms energy: -37.776385
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -8.693
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -0.074
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: 1, replica: 2
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -110.379259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.379259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.379259 (E_RNA)
where:
Base-Base interactions energy: -65.030
where: short stacking energy: -33.780
Base-Backbone interact. energy: -0.035
local terms energy: -45.313674
where:
bonds (distance) C4'-P energy: -9.602
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -4.803
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: 8
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -129.529166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.529166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.529166 (E_RNA)
where:
Base-Base interactions energy: -78.309
where: short stacking energy: -41.181
Base-Backbone interact. energy: -0.044
local terms energy: -51.176263
where:
bonds (distance) C4'-P energy: -10.376
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -8.028
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: 3, replica: 1
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -80.018690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.018690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.018690 (E_RNA)
where:
Base-Base interactions energy: -32.985
where: short stacking energy: -30.406
Base-Backbone interact. energy: -0.065
local terms energy: -46.968922
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -4.290
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: 4, replica: 7
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -92.919910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.919910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.919910 (E_RNA)
where:
Base-Base interactions energy: -51.025
where: short stacking energy: -20.289
Base-Backbone interact. energy: -0.003
local terms energy: -41.891681
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -9.576
flat angles P-C4'-P energy: -0.907
tors. eta vs tors. theta energy: -6.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -82.964442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.964442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.964442 (E_RNA)
where:
Base-Base interactions energy: -37.197
where: short stacking energy: -35.023
Base-Backbone interact. energy: -0.014
local terms energy: -45.753019
where:
bonds (distance) C4'-P energy: -10.814
bonds (distance) P-C4' energy: -8.245
flat angles C4'-P-C4' energy: -9.541
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -9.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -66.567014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.567014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.567014 (E_RNA)
where:
Base-Base interactions energy: -26.815
where: short stacking energy: -24.255
Base-Backbone interact. energy: -0.014
local terms energy: -39.737941
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -9.107
flat angles C4'-P-C4' energy: -4.909
flat angles P-C4'-P energy: -5.005
tors. eta vs tors. theta energy: -8.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -63.104283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.104283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.104283 (E_RNA)
where:
Base-Base interactions energy: -22.876
where: short stacking energy: -22.876
Base-Backbone interact. energy: -0.023
local terms energy: -40.205490
where:
bonds (distance) C4'-P energy: -9.954
bonds (distance) P-C4' energy: -11.432
flat angles C4'-P-C4' energy: -11.097
flat angles P-C4'-P energy: -3.589
tors. eta vs tors. theta energy: -4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -58.651316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.651316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.651316 (E_RNA)
where:
Base-Base interactions energy: -22.186
where: short stacking energy: -19.624
Base-Backbone interact. energy: -0.218
local terms energy: -36.247847
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -7.433
flat angles P-C4'-P energy: -2.505
tors. eta vs tors. theta energy: -2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -56.885926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.885926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.885926 (E_RNA)
where:
Base-Base interactions energy: -23.238
where: short stacking energy: -14.257
Base-Backbone interact. energy: -0.105
local terms energy: -33.543559
where:
bonds (distance) C4'-P energy: -6.894
bonds (distance) P-C4' energy: -10.542
flat angles C4'-P-C4' energy: -5.911
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -3.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -57.913179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.913179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.913179 (E_RNA)
where:
Base-Base interactions energy: -15.944
where: short stacking energy: -13.138
Base-Backbone interact. energy: -0.053
local terms energy: -41.916812
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -10.447
flat angles C4'-P-C4' energy: -10.301
flat angles P-C4'-P energy: -9.187
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: 1, replica: 8
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -128.409880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.409880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.409880 (E_RNA)
where:
Base-Base interactions energy: -72.589
where: short stacking energy: -34.922
Base-Backbone interact. energy: -1.654
local terms energy: -54.166276
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -9.188
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: 2, replica: 2
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -103.619949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.619949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.619949 (E_RNA)
where:
Base-Base interactions energy: -57.698
where: short stacking energy: -31.693
Base-Backbone interact. energy: -0.015
local terms energy: -45.906736
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -4.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -106.869631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.869631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.869631 (E_RNA)
where:
Base-Base interactions energy: -58.162
where: short stacking energy: -34.370
Base-Backbone interact. energy: -0.193
local terms energy: -48.514844
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -10.601
flat angles C4'-P-C4' energy: -11.149
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -8.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -102.445550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.445550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.445550 (E_RNA)
where:
Base-Base interactions energy: -54.971
where: short stacking energy: -27.637
Base-Backbone interact. energy: -0.119
local terms energy: -47.355414
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -4.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -77.109901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.109901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.109901 (E_RNA)
where:
Base-Base interactions energy: -33.441
where: short stacking energy: -28.708
Base-Backbone interact. energy: -0.172
local terms energy: -43.497356
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -9.027
flat angles C4'-P-C4' energy: -8.788
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -5.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -86.482122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.482122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.482122 (E_RNA)
where:
Base-Base interactions energy: -45.443
where: short stacking energy: -18.912
Base-Backbone interact. energy: -1.048
local terms energy: -39.990852
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -9.665
flat angles P-C4'-P energy: -6.319
tors. eta vs tors. theta energy: -1.216
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: 3
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -69.065580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.065580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.065580 (E_RNA)
where:
Base-Base interactions energy: -27.615
where: short stacking energy: -26.824
Base-Backbone interact. energy: -0.006
local terms energy: -41.444669
where:
bonds (distance) C4'-P energy: -8.055
bonds (distance) P-C4' energy: -9.382
flat angles C4'-P-C4' energy: -10.852
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -6.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -59.460430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.460430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.460430 (E_RNA)
where:
Base-Base interactions energy: -21.302
where: short stacking energy: -21.302
Base-Backbone interact. energy: -0.187
local terms energy: -37.971225
where:
bonds (distance) C4'-P energy: -9.043
bonds (distance) P-C4' energy: -9.923
flat angles C4'-P-C4' energy: -8.377
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -1.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -55.722217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.722217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.722217 (E_RNA)
where:
Base-Base interactions energy: -26.182
where: short stacking energy: -16.305
Base-Backbone interact. energy: -0.141
local terms energy: -29.398871
where:
bonds (distance) C4'-P energy: -8.981
bonds (distance) P-C4' energy: -9.317
flat angles C4'-P-C4' energy: -9.019
flat angles P-C4'-P energy: -0.083
tors. eta vs tors. theta energy: -2.000
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: 10, replica: 9
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -60.852629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.852629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.852629 (E_RNA)
where:
Base-Base interactions energy: -30.766
where: short stacking energy: -20.285
Base-Backbone interact. energy: -0.404
local terms energy: -29.682338
where:
bonds (distance) C4'-P energy: -6.852
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -7.327
flat angles P-C4'-P energy: -1.981
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: 1, replica: 8
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -116.671174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.671174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.671174 (E_RNA)
where:
Base-Base interactions energy: -67.426
where: short stacking energy: -41.314
Base-Backbone interact. energy: -0.072
local terms energy: -49.172551
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -8.656
flat angles C4'-P-C4' energy: -10.130
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -12.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -109.801080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.801080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.801080 (E_RNA)
where:
Base-Base interactions energy: -63.111
where: short stacking energy: -26.131
Base-Backbone interact. energy: -0.113
local terms energy: -46.576682
where:
bonds (distance) C4'-P energy: -10.132
bonds (distance) P-C4' energy: -10.203
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: -8.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -115.526061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.526061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.526061 (E_RNA)
where:
Base-Base interactions energy: -65.682
where: short stacking energy: -39.393
Base-Backbone interact. energy: -0.696
local terms energy: -49.148800
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -10.103
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -9.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -93.115436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.115436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.115436 (E_RNA)
where:
Base-Base interactions energy: -58.375
where: short stacking energy: -32.574
Base-Backbone interact. energy: -0.032
local terms energy: -34.708600
where:
bonds (distance) C4'-P energy: -3.897
bonds (distance) P-C4' energy: -7.051
flat angles C4'-P-C4' energy: -9.921
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -5.793
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: 10
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -70.886533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.886533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.886533 (E_RNA)
where:
Base-Base interactions energy: -28.247
where: short stacking energy: -23.344
Base-Backbone interact. energy: -0.627
local terms energy: -42.012176
where:
bonds (distance) C4'-P energy: -8.655
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -4.058
tors. eta vs tors. theta energy: -6.199
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: 3
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -65.871012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.871012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.871012 (E_RNA)
where:
Base-Base interactions energy: -27.021
where: short stacking energy: -21.659
Base-Backbone interact. energy: -0.064
local terms energy: -38.786398
where:
bonds (distance) C4'-P energy: -9.680
bonds (distance) P-C4' energy: -9.689
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -6.541
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: 7, replica: 5
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -85.562984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.562984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.562984 (E_RNA)
where:
Base-Base interactions energy: -49.769
where: short stacking energy: -19.601
Base-Backbone interact. energy: -0.274
local terms energy: -35.519896
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -6.586
flat angles P-C4'-P energy: -4.312
tors. eta vs tors. theta energy: -3.257
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: 8, replica: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -63.395065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.395065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.395065 (E_RNA)
where:
Base-Base interactions energy: -19.450
where: short stacking energy: -19.450
Base-Backbone interact. energy: -0.061
local terms energy: -43.884640
where:
bonds (distance) C4'-P energy: -10.487
bonds (distance) P-C4' energy: -11.735
flat angles C4'-P-C4' energy: -10.406
flat angles P-C4'-P energy: -5.274
tors. eta vs tors. theta energy: -5.984
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: 4
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -67.535642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.535642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.535642 (E_RNA)
where:
Base-Base interactions energy: -25.430
where: short stacking energy: -26.130
Base-Backbone interact. energy: -0.527
local terms energy: -41.578958
where:
bonds (distance) C4'-P energy: -4.692
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -5.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -55.433654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.433654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.433654 (E_RNA)
where:
Base-Base interactions energy: -24.481
where: short stacking energy: -24.481
Base-Backbone interact. energy: -0.016
local terms energy: -30.937280
where:
bonds (distance) C4'-P energy: -7.400
bonds (distance) P-C4' energy: -8.035
flat angles C4'-P-C4' energy: -3.286
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -4.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -130.824027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.824027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.824027 (E_RNA)
where:
Base-Base interactions energy: -82.274
where: short stacking energy: -28.265
Base-Backbone interact. energy: 0.176
local terms energy: -48.726160
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -8.953
flat angles C4'-P-C4' energy: -10.528
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -5.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -95.840083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.840083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.840083 (E_RNA)
where:
Base-Base interactions energy: -55.996
where: short stacking energy: -24.244
Base-Backbone interact. energy: 1.004
local terms energy: -40.848545
where:
bonds (distance) C4'-P energy: -9.946
bonds (distance) P-C4' energy: -9.029
flat angles C4'-P-C4' energy: -10.200
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -4.374
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: 7
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -103.157470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.157470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.157470 (E_RNA)
where:
Base-Base interactions energy: -62.036
where: short stacking energy: -29.856
Base-Backbone interact. energy: -0.066
local terms energy: -41.055657
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -5.934
flat angles P-C4'-P energy: -6.491
tors. eta vs tors. theta energy: -6.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -86.490417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.490417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.490417 (E_RNA)
where:
Base-Base interactions energy: -45.834
where: short stacking energy: -30.461
Base-Backbone interact. energy: -0.019
local terms energy: -40.637268
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -5.791
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -6.192
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: 5, replica: 10
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -66.934463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.934463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.934463 (E_RNA)
where:
Base-Base interactions energy: -31.800
where: short stacking energy: -15.370
Base-Backbone interact. energy: 0.430
local terms energy: -35.564765
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -8.709
flat angles P-C4'-P energy: -5.402
tors. eta vs tors. theta energy: 1.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -59.820036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.820036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.820036 (E_RNA)
where:
Base-Base interactions energy: -20.304
where: short stacking energy: -10.098
Base-Backbone interact. energy: -0.004
local terms energy: -39.512388
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -11.384
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: 2.243
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: 6
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -69.350672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.350672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.350672 (E_RNA)
where:
Base-Base interactions energy: -24.283
where: short stacking energy: -24.283
Base-Backbone interact. energy: -0.034
local terms energy: -45.033570
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -9.626
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -6.081
tors. eta vs tors. theta energy: -7.070
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: 8, replica: 5
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -64.357282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.357282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.357282 (E_RNA)
where:
Base-Base interactions energy: -23.480
where: short stacking energy: -23.278
Base-Backbone interact. energy: -0.195
local terms energy: -40.682765
where:
bonds (distance) C4'-P energy: -10.074
bonds (distance) P-C4' energy: -10.013
flat angles C4'-P-C4' energy: -8.939
flat angles P-C4'-P energy: -3.222
tors. eta vs tors. theta energy: -8.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -57.966363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.966363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.966363 (E_RNA)
where:
Base-Base interactions energy: -22.613
where: short stacking energy: -7.423
Base-Backbone interact. energy: -0.071
local terms energy: -35.282741
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -10.125
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: 2.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -60.289910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.289910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.289910 (E_RNA)
where:
Base-Base interactions energy: -20.131
where: short stacking energy: -20.131
Base-Backbone interact. energy: -0.003
local terms energy: -40.156054
where:
bonds (distance) C4'-P energy: -8.914
bonds (distance) P-C4' energy: -8.887
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -4.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -138.648852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.648852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.648852 (E_RNA)
where:
Base-Base interactions energy: -91.683
where: short stacking energy: -28.743
Base-Backbone interact. energy: -0.502
local terms energy: -46.463596
where:
bonds (distance) C4'-P energy: -8.659
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -7.238
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: 2, replica: 7
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -123.115521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.115521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.115521 (E_RNA)
where:
Base-Base interactions energy: -70.366
where: short stacking energy: -33.262
Base-Backbone interact. energy: -0.060
local terms energy: -52.690019
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -11.236
flat angles C4'-P-C4' energy: -9.596
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -10.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -90.957139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.957139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.957139 (E_RNA)
where:
Base-Base interactions energy: -51.560
where: short stacking energy: -25.787
Base-Backbone interact. energy: -0.407
local terms energy: -38.990741
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -8.317
flat angles P-C4'-P energy: -4.632
tors. eta vs tors. theta energy: -2.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -88.727683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.727683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.727683 (E_RNA)
where:
Base-Base interactions energy: -40.486
where: short stacking energy: -25.475
Base-Backbone interact. energy: -0.082
local terms energy: -48.159659
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -9.943
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -8.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -79.158151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.158151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.158151 (E_RNA)
where:
Base-Base interactions energy: -32.225
where: short stacking energy: -29.809
Base-Backbone interact. energy: -0.083
local terms energy: -46.850027
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -8.069
flat angles C4'-P-C4' energy: -8.163
flat angles P-C4'-P energy: -9.783
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: 6, replica: 3
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -60.408193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.408193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.408193 (E_RNA)
where:
Base-Base interactions energy: -20.399
where: short stacking energy: -11.650
Base-Backbone interact. energy: -0.229
local terms energy: -39.780017
where:
bonds (distance) C4'-P energy: -8.852
bonds (distance) P-C4' energy: -12.227
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: 1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -57.205441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.205441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.205441 (E_RNA)
where:
Base-Base interactions energy: -21.109
where: short stacking energy: -19.046
Base-Backbone interact. energy: 0.260
local terms energy: -36.356717
where:
bonds (distance) C4'-P energy: -6.849
bonds (distance) P-C4' energy: -10.833
flat angles C4'-P-C4' energy: -9.905
flat angles P-C4'-P energy: -5.908
tors. eta vs tors. theta energy: -2.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -64.123842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.123842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.123842 (E_RNA)
where:
Base-Base interactions energy: -18.744
where: short stacking energy: -18.744
Base-Backbone interact. energy: -0.073
local terms energy: -45.306772
where:
bonds (distance) C4'-P energy: -9.866
bonds (distance) P-C4' energy: -12.094
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -8.011
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: 9, replica: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -60.457257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.457257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.457257 (E_RNA)
where:
Base-Base interactions energy: -16.347
where: short stacking energy: -16.347
Base-Backbone interact. energy: -0.095
local terms energy: -44.014859
where:
bonds (distance) C4'-P energy: -11.207
bonds (distance) P-C4' energy: -13.516
flat angles C4'-P-C4' energy: -9.114
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -3.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -61.012180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.012180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.012180 (E_RNA)
where:
Base-Base interactions energy: -20.490
where: short stacking energy: -17.444
Base-Backbone interact. energy: -0.614
local terms energy: -39.908358
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -9.341
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -2.937
tors. eta vs tors. theta energy: -4.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -132.552975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.552975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.552975 (E_RNA)
where:
Base-Base interactions energy: -85.995
where: short stacking energy: -32.558
Base-Backbone interact. energy: -0.001
local terms energy: -46.556111
where:
bonds (distance) C4'-P energy: -8.951
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -8.767
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -8.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -136.228466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.228466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.228466 (E_RNA)
where:
Base-Base interactions energy: -89.440
where: short stacking energy: -34.647
Base-Backbone interact. energy: -0.403
local terms energy: -46.385350
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -9.312
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -7.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -110.493876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.493876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.493876 (E_RNA)
where:
Base-Base interactions energy: -57.637
where: short stacking energy: -39.400
Base-Backbone interact. energy: -0.035
local terms energy: -52.822363
where:
bonds (distance) C4'-P energy: -8.847
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -9.897
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -13.923
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: 10
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -80.859491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.859491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.859491 (E_RNA)
where:
Base-Base interactions energy: -48.697
where: short stacking energy: -21.857
Base-Backbone interact. energy: -0.040
local terms energy: -32.122456
where:
bonds (distance) C4'-P energy: -7.421
bonds (distance) P-C4' energy: -10.002
flat angles C4'-P-C4' energy: -7.862
flat angles P-C4'-P energy: -5.171
tors. eta vs tors. theta energy: -1.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -73.500604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.500604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.500604 (E_RNA)
where:
Base-Base interactions energy: -31.574
where: short stacking energy: -31.574
Base-Backbone interact. energy: 0.101
local terms energy: -42.027699
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -7.852
flat angles P-C4'-P energy: -9.014
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: 6, replica: 1
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -79.409793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.409793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.409793 (E_RNA)
where:
Base-Base interactions energy: -38.377
where: short stacking energy: -17.022
Base-Backbone interact. energy: -0.495
local terms energy: -40.537765
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -8.498
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -1.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -68.442829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.442829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.442829 (E_RNA)
where:
Base-Base interactions energy: -29.408
where: short stacking energy: -15.562
Base-Backbone interact. energy: -0.291
local terms energy: -38.743119
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -7.623
flat angles C4'-P-C4' energy: -7.060
flat angles P-C4'-P energy: -9.829
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: 8, replica: 6
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -61.847003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.847003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.847003 (E_RNA)
where:
Base-Base interactions energy: -21.078
where: short stacking energy: -21.078
Base-Backbone interact. energy: -0.093
local terms energy: -40.676238
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -7.953
flat angles C4'-P-C4' energy: -9.922
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -6.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -56.146058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.146058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.146058 (E_RNA)
where:
Base-Base interactions energy: -20.739
where: short stacking energy: -17.932
Base-Backbone interact. energy: -0.060
local terms energy: -35.346757
where:
bonds (distance) C4'-P energy: -8.850
bonds (distance) P-C4' energy: -10.687
flat angles C4'-P-C4' energy: -7.979
flat angles P-C4'-P energy: -4.349
tors. eta vs tors. theta energy: -3.482
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: 4
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -57.534496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.534496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.534496 (E_RNA)
where:
Base-Base interactions energy: -26.322
where: short stacking energy: -19.286
Base-Backbone interact. energy: -0.227
local terms energy: -30.984785
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -5.837
flat angles C4'-P-C4' energy: -8.675
flat angles P-C4'-P energy: -4.573
tors. eta vs tors. theta energy: -0.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -136.665443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.665443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.665443 (E_RNA)
where:
Base-Base interactions energy: -89.395
where: short stacking energy: -40.837
Base-Backbone interact. energy: -0.266
local terms energy: -47.004014
where:
bonds (distance) C4'-P energy: -7.391
bonds (distance) P-C4' energy: -11.572
flat angles C4'-P-C4' energy: -9.963
flat angles P-C4'-P energy: -4.927
tors. eta vs tors. theta energy: -13.151
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: 2, replica: 8
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -130.632704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.632704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.632704 (E_RNA)
where:
Base-Base interactions energy: -86.276
where: short stacking energy: -33.664
Base-Backbone interact. energy: -0.712
local terms energy: -43.644250
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -8.420
flat angles C4'-P-C4' energy: -9.058
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -6.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -116.101022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.101022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.101022 (E_RNA)
where:
Base-Base interactions energy: -66.401
where: short stacking energy: -36.306
Base-Backbone interact. energy: -0.174
local terms energy: -49.526834
where:
bonds (distance) C4'-P energy: -8.911
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -4.498
tors. eta vs tors. theta energy: -12.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -76.596155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.596155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.596155 (E_RNA)
where:
Base-Base interactions energy: -35.113
where: short stacking energy: -25.772
Base-Backbone interact. energy: -0.089
local terms energy: -41.394731
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -9.308
flat angles C4'-P-C4' energy: -9.494
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -5.228
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: 10
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -75.445346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.445346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.445346 (E_RNA)
where:
Base-Base interactions energy: -37.587
where: short stacking energy: -20.318
Base-Backbone interact. energy: -0.085
local terms energy: -37.773752
where:
bonds (distance) C4'-P energy: -5.826
bonds (distance) P-C4' energy: -9.929
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: -4.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -68.185064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.185064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.185064 (E_RNA)
where:
Base-Base interactions energy: -31.220
where: short stacking energy: -22.455
Base-Backbone interact. energy: -0.154
local terms energy: -36.811212
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -9.380
flat angles C4'-P-C4' energy: -9.159
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: -0.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -72.296804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.296804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.296804 (E_RNA)
where:
Base-Base interactions energy: -25.613
where: short stacking energy: -25.212
Base-Backbone interact. energy: -0.015
local terms energy: -46.668366
where:
bonds (distance) C4'-P energy: -7.123
bonds (distance) P-C4' energy: -13.354
flat angles C4'-P-C4' energy: -10.265
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -7.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -63.263740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.263740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.263740 (E_RNA)
where:
Base-Base interactions energy: -29.957
where: short stacking energy: -15.241
Base-Backbone interact. energy: -0.078
local terms energy: -33.229261
where:
bonds (distance) C4'-P energy: -5.536
bonds (distance) P-C4' energy: -6.749
flat angles C4'-P-C4' energy: -9.016
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -4.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -54.695343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.695343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.695343 (E_RNA)
where:
Base-Base interactions energy: -21.094
where: short stacking energy: -14.664
Base-Backbone interact. energy: -0.731
local terms energy: -32.870225
where:
bonds (distance) C4'-P energy: -8.459
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -6.866
flat angles P-C4'-P energy: -4.162
tors. eta vs tors. theta energy: -1.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -49.411671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.411671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.411671 (E_RNA)
where:
Base-Base interactions energy: -22.477
where: short stacking energy: -18.315
Base-Backbone interact. energy: -0.124
local terms energy: -26.811118
where:
bonds (distance) C4'-P energy: -8.376
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: 3.931
tors. eta vs tors. theta energy: -0.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -140.009247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.009247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.009247 (E_RNA)
where:
Base-Base interactions energy: -83.197
where: short stacking energy: -42.586
Base-Backbone interact. energy: -0.626
local terms energy: -56.186460
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -8.490
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -14.416
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: 8
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -130.742829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.742829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.742829 (E_RNA)
where:
Base-Base interactions energy: -85.008
where: short stacking energy: -34.683
Base-Backbone interact. energy: -0.962
local terms energy: -44.772833
where:
bonds (distance) C4'-P energy: -11.472
bonds (distance) P-C4' energy: -11.738
flat angles C4'-P-C4' energy: -9.408
flat angles P-C4'-P energy: -6.500
tors. eta vs tors. theta energy: -5.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -90.207677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.207677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.207677 (E_RNA)
where:
Base-Base interactions energy: -39.231
where: short stacking energy: -30.072
Base-Backbone interact. energy: 0.832
local terms energy: -51.807971
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -9.879
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -7.113
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: 4, replica: 2
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -139.336554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.336554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.336554 (E_RNA)
where:
Base-Base interactions energy: -91.069
where: short stacking energy: -46.250
Base-Backbone interact. energy: -0.045
local terms energy: -48.221878
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -10.527
flat angles C4'-P-C4' energy: -9.192
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -9.826
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: 5, replica: 5
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -80.855111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.855111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.855111 (E_RNA)
where:
Base-Base interactions energy: -44.802
where: short stacking energy: -19.130
Base-Backbone interact. energy: -0.038
local terms energy: -36.014771
where:
bonds (distance) C4'-P energy: -8.847
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -8.645
flat angles P-C4'-P energy: -4.969
tors. eta vs tors. theta energy: -2.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -71.324766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.324766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.324766 (E_RNA)
where:
Base-Base interactions energy: -26.952
where: short stacking energy: -24.815
Base-Backbone interact. energy: -0.032
local terms energy: -44.340497
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -8.369
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: -5.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -60.137052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.137052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.137052 (E_RNA)
where:
Base-Base interactions energy: -21.990
where: short stacking energy: -13.447
Base-Backbone interact. energy: -0.079
local terms energy: -38.068394
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -11.392
flat angles C4'-P-C4' energy: -8.985
flat angles P-C4'-P energy: -5.505
tors. eta vs tors. theta energy: -0.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -58.357154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.357154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.357154 (E_RNA)
where:
Base-Base interactions energy: -27.431
where: short stacking energy: -10.146
Base-Backbone interact. energy: 0.786
local terms energy: -31.712494
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -7.055
flat angles P-C4'-P energy: -5.525
tors. eta vs tors. theta energy: 4.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -55.562878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.562878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.562878 (E_RNA)
where:
Base-Base interactions energy: -24.344
where: short stacking energy: -11.625
Base-Backbone interact. energy: -0.066
local terms energy: -31.152768
where:
bonds (distance) C4'-P energy: -5.848
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -3.102
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -0.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -51.947380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.947380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.947380 (E_RNA)
where:
Base-Base interactions energy: -11.907
where: short stacking energy: -9.883
Base-Backbone interact. energy: 0.195
local terms energy: -40.235477
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -8.778
flat angles C4'-P-C4' energy: -10.513
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -1.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -123.171388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.171388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.171388 (E_RNA)
where:
Base-Base interactions energy: -69.647
where: short stacking energy: -32.693
Base-Backbone interact. energy: -0.002
local terms energy: -53.522991
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -7.922
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: 2, replica: 8
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -134.019686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.019686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.019686 (E_RNA)
where:
Base-Base interactions energy: -86.147
where: short stacking energy: -35.475
Base-Backbone interact. energy: 0.329
local terms energy: -48.201740
where:
bonds (distance) C4'-P energy: -8.029
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -10.052
flat angles P-C4'-P energy: -9.017
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: 3, replica: 3
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -109.968924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.968924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.968924 (E_RNA)
where:
Base-Base interactions energy: -63.526
where: short stacking energy: -29.948
Base-Backbone interact. energy: -1.558
local terms energy: -44.885394
where:
bonds (distance) C4'-P energy: -9.963
bonds (distance) P-C4' energy: -10.503
flat angles C4'-P-C4' energy: -8.832
flat angles P-C4'-P energy: -4.104
tors. eta vs tors. theta energy: -11.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -125.666606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.666606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.666606 (E_RNA)
where:
Base-Base interactions energy: -70.818
where: short stacking energy: -31.349
Base-Backbone interact. energy: -0.293
local terms energy: -54.555076
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -9.836
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -13.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -67.097756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.097756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.097756 (E_RNA)
where:
Base-Base interactions energy: -25.303
where: short stacking energy: -19.177
Base-Backbone interact. energy: -1.112
local terms energy: -40.683113
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -7.786
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -0.680
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: 9
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -81.017592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.017592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.017592 (E_RNA)
where:
Base-Base interactions energy: -43.413
where: short stacking energy: -22.346
Base-Backbone interact. energy: -0.111
local terms energy: -37.493327
where:
bonds (distance) C4'-P energy: -6.281
bonds (distance) P-C4' energy: -11.557
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -3.970
tors. eta vs tors. theta energy: -4.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -69.273002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.273002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.273002 (E_RNA)
where:
Base-Base interactions energy: -21.972
where: short stacking energy: -21.972
Base-Backbone interact. energy: -0.069
local terms energy: -47.231720
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -8.392
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: 8, replica: 1
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -61.891641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.891641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.891641 (E_RNA)
where:
Base-Base interactions energy: -19.555
where: short stacking energy: -16.768
Base-Backbone interact. energy: -0.040
local terms energy: -42.297203
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -10.549
flat angles C4'-P-C4' energy: -9.909
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -3.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -53.506420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.506420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.506420 (E_RNA)
where:
Base-Base interactions energy: -15.136
where: short stacking energy: -14.821
Base-Backbone interact. energy: 1.430
local terms energy: -39.800199
where:
bonds (distance) C4'-P energy: -9.337
bonds (distance) P-C4' energy: -9.791
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -3.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -52.609613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.609613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.609613 (E_RNA)
where:
Base-Base interactions energy: -16.912
where: short stacking energy: -16.912
Base-Backbone interact. energy: -0.073
local terms energy: -35.624156
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -6.949
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -3.349
tors. eta vs tors. theta energy: -4.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -126.836840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.836840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.836840 (E_RNA)
where:
Base-Base interactions energy: -78.922
where: short stacking energy: -38.606
Base-Backbone interact. energy: 0.247
local terms energy: -48.161188
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -10.974
flat angles C4'-P-C4' energy: -9.556
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -9.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -106.410053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.410053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.410053 (E_RNA)
where:
Base-Base interactions energy: -57.428
where: short stacking energy: -33.644
Base-Backbone interact. energy: 0.074
local terms energy: -49.056422
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -11.282
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -5.025
tors. eta vs tors. theta energy: -9.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -116.298544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.298544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.298544 (E_RNA)
where:
Base-Base interactions energy: -71.579
where: short stacking energy: -26.071
Base-Backbone interact. energy: 0.721
local terms energy: -45.440482
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -9.673
flat angles C4'-P-C4' energy: -10.599
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -6.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -104.909578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.909578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.909578 (E_RNA)
where:
Base-Base interactions energy: -61.506
where: short stacking energy: -25.827
Base-Backbone interact. energy: -0.122
local terms energy: -43.282088
where:
bonds (distance) C4'-P energy: -8.393
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -9.496
flat angles P-C4'-P energy: -3.570
tors. eta vs tors. theta energy: -9.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -85.355136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.355136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.355136 (E_RNA)
where:
Base-Base interactions energy: -48.006
where: short stacking energy: -28.830
Base-Backbone interact. energy: -0.441
local terms energy: -36.908593
where:
bonds (distance) C4'-P energy: -8.601
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -2.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -63.453882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.453882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.453882 (E_RNA)
where:
Base-Base interactions energy: -25.563
where: short stacking energy: -25.563
Base-Backbone interact. energy: -0.004
local terms energy: -37.887364
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -11.601
flat angles C4'-P-C4' energy: -5.610
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -1.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -68.569179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.569179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.569179 (E_RNA)
where:
Base-Base interactions energy: -30.673
where: short stacking energy: -18.807
Base-Backbone interact. energy: -0.153
local terms energy: -37.743541
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -7.120
flat angles C4'-P-C4' energy: -10.490
flat angles P-C4'-P energy: -5.817
tors. eta vs tors. theta energy: -1.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -63.382595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.382595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.382595 (E_RNA)
where:
Base-Base interactions energy: -26.754
where: short stacking energy: -25.621
Base-Backbone interact. energy: -0.080
local terms energy: -36.549205
where:
bonds (distance) C4'-P energy: -8.265
bonds (distance) P-C4' energy: -10.364
flat angles C4'-P-C4' energy: -8.308
flat angles P-C4'-P energy: -5.770
tors. eta vs tors. theta energy: -3.843
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: 404
Temperature: 1.300000
Total energy: -60.840198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.840198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.840198 (E_RNA)
where:
Base-Base interactions energy: -13.766
where: short stacking energy: -13.766
Base-Backbone interact. energy: -0.282
local terms energy: -46.792185
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -3.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -56.485401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.485401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.485401 (E_RNA)
where:
Base-Base interactions energy: -19.733
where: short stacking energy: -17.690
Base-Backbone interact. energy: -0.143
local terms energy: -36.609386
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -11.772
flat angles C4'-P-C4' energy: -7.138
flat angles P-C4'-P energy: -5.984
tors. eta vs tors. theta energy: -0.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -127.411128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.411128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.411128 (E_RNA)
where:
Base-Base interactions energy: -82.125
where: short stacking energy: -34.590
Base-Backbone interact. energy: -0.774
local terms energy: -44.511695
where:
bonds (distance) C4'-P energy: -10.251
bonds (distance) P-C4' energy: -10.629
flat angles C4'-P-C4' energy: -10.655
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -4.303
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: 7
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -101.131608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.131608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.131608 (E_RNA)
where:
Base-Base interactions energy: -56.462
where: short stacking energy: -32.191
Base-Backbone interact. energy: -0.231
local terms energy: -44.438815
where:
bonds (distance) C4'-P energy: -6.807
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -9.988
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -7.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -100.542423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.542423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.542423 (E_RNA)
where:
Base-Base interactions energy: -59.016
where: short stacking energy: -26.584
Base-Backbone interact. energy: -0.043
local terms energy: -41.483928
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -6.419
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -5.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -85.076934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.076934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.076934 (E_RNA)
where:
Base-Base interactions energy: -42.729
where: short stacking energy: -23.407
Base-Backbone interact. energy: -0.782
local terms energy: -41.565273
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -5.341
tors. eta vs tors. theta energy: -0.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -94.713729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.713729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.713729 (E_RNA)
where:
Base-Base interactions energy: -46.947
where: short stacking energy: -36.367
Base-Backbone interact. energy: 0.876
local terms energy: -48.642996
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -3.238
tors. eta vs tors. theta energy: -9.718
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: 405
Temperature: 1.150000
Total energy: -75.027505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.027505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.027505 (E_RNA)
where:
Base-Base interactions energy: -41.730
where: short stacking energy: -20.927
Base-Backbone interact. energy: -0.211
local terms energy: -33.086179
where:
bonds (distance) C4'-P energy: -7.329
bonds (distance) P-C4' energy: -8.440
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -5.277
tors. eta vs tors. theta energy: -1.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -68.094792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.094792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.094792 (E_RNA)
where:
Base-Base interactions energy: -30.230
where: short stacking energy: -24.509
Base-Backbone interact. energy: -0.076
local terms energy: -37.789014
where:
bonds (distance) C4'-P energy: -9.334
bonds (distance) P-C4' energy: -9.913
flat angles C4'-P-C4' energy: -6.769
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -4.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -59.464653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.464653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.464653 (E_RNA)
where:
Base-Base interactions energy: -22.423
where: short stacking energy: -22.423
Base-Backbone interact. energy: -0.101
local terms energy: -36.940642
where:
bonds (distance) C4'-P energy: -4.585
bonds (distance) P-C4' energy: -11.435
flat angles C4'-P-C4' energy: -6.193
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -6.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -71.556890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.556890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.556890 (E_RNA)
where:
Base-Base interactions energy: -27.609
where: short stacking energy: -15.661
Base-Backbone interact. energy: -0.011
local terms energy: -43.937242
where:
bonds (distance) C4'-P energy: -9.896
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -4.039
tors. eta vs tors. theta energy: -6.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -61.309645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.309645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.309645 (E_RNA)
where:
Base-Base interactions energy: -25.103
where: short stacking energy: -18.746
Base-Backbone interact. energy: -0.013
local terms energy: -36.192718
where:
bonds (distance) C4'-P energy: -8.438
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -1.709
tors. eta vs tors. theta energy: -2.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -101.676130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.676130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.676130 (E_RNA)
where:
Base-Base interactions energy: -53.834
where: short stacking energy: -33.344
Base-Backbone interact. energy: -0.211
local terms energy: -47.631480
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -9.333
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -7.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -139.336432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.336432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.336432 (E_RNA)
where:
Base-Base interactions energy: -89.725
where: short stacking energy: -39.990
Base-Backbone interact. energy: -0.247
local terms energy: -49.363792
where:
bonds (distance) C4'-P energy: -11.261
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -5.826
tors. eta vs tors. theta energy: -7.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -105.238077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.238077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.238077 (E_RNA)
where:
Base-Base interactions energy: -60.191
where: short stacking energy: -36.077
Base-Backbone interact. energy: -0.001
local terms energy: -45.045856
where:
bonds (distance) C4'-P energy: -8.922
bonds (distance) P-C4' energy: -9.376
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -7.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -89.485829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.485829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.485829 (E_RNA)
where:
Base-Base interactions energy: -53.903
where: short stacking energy: -29.969
Base-Backbone interact. energy: -0.009
local terms energy: -35.573077
where:
bonds (distance) C4'-P energy: -9.044
bonds (distance) P-C4' energy: -10.296
flat angles C4'-P-C4' energy: -6.196
flat angles P-C4'-P energy: -5.556
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: 5, replica: 2
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -73.418888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.418888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.418888 (E_RNA)
where:
Base-Base interactions energy: -28.465
where: short stacking energy: -25.990
Base-Backbone interact. energy: -0.002
local terms energy: -44.951221
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -11.482
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -64.497871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.497871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.497871 (E_RNA)
where:
Base-Base interactions energy: -19.773
where: short stacking energy: -12.723
Base-Backbone interact. energy: -0.127
local terms energy: -44.597804
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -11.641
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -0.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -62.252530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.252530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.252530 (E_RNA)
where:
Base-Base interactions energy: -18.583
where: short stacking energy: -18.583
Base-Backbone interact. energy: -0.100
local terms energy: -43.568592
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -9.642
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -3.687
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: 4
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -62.228079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.228079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.228079 (E_RNA)
where:
Base-Base interactions energy: -22.586
where: short stacking energy: -18.816
Base-Backbone interact. energy: -0.026
local terms energy: -39.615198
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -6.835
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -4.742
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: 10
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -55.084924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.084924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.084924 (E_RNA)
where:
Base-Base interactions energy: -28.333
where: short stacking energy: -19.820
Base-Backbone interact. energy: -0.223
local terms energy: -26.528838
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -9.517
flat angles C4'-P-C4' energy: -6.402
flat angles P-C4'-P energy: -1.949
tors. eta vs tors. theta energy: 2.138
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: 10, replica: 6
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -66.119294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.119294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.119294 (E_RNA)
where:
Base-Base interactions energy: -26.015
where: short stacking energy: -21.993
Base-Backbone interact. energy: -0.012
local terms energy: -40.092462
where:
bonds (distance) C4'-P energy: -6.778
bonds (distance) P-C4' energy: -10.000
flat angles C4'-P-C4' energy: -10.676
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -4.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -121.270760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.270760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.270760 (E_RNA)
where:
Base-Base interactions energy: -72.764
where: short stacking energy: -44.282
Base-Backbone interact. energy: -0.001
local terms energy: -48.506059
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -4.225
tors. eta vs tors. theta energy: -10.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -139.369597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.369597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.369597 (E_RNA)
where:
Base-Base interactions energy: -90.413
where: short stacking energy: -37.501
Base-Backbone interact. energy: -0.103
local terms energy: -48.853341
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -5.706
tors. eta vs tors. theta energy: -7.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -93.202288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.202288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.202288 (E_RNA)
where:
Base-Base interactions energy: -43.139
where: short stacking energy: -20.772
Base-Backbone interact. energy: -0.000
local terms energy: -50.063040
where:
bonds (distance) C4'-P energy: -8.281
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -9.586
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: 4, replica: 2
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -87.203599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.203599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.203599 (E_RNA)
where:
Base-Base interactions energy: -40.110
where: short stacking energy: -26.033
Base-Backbone interact. energy: -0.190
local terms energy: -46.903416
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -11.116
flat angles C4'-P-C4' energy: -10.073
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -5.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -87.050212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.050212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.050212 (E_RNA)
where:
Base-Base interactions energy: -46.065
where: short stacking energy: -25.705
Base-Backbone interact. energy: -0.070
local terms energy: -40.914655
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -8.692
flat angles C4'-P-C4' energy: -8.826
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: -4.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -59.351066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.351066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.351066 (E_RNA)
where:
Base-Base interactions energy: -21.569
where: short stacking energy: -18.291
Base-Backbone interact. energy: -0.753
local terms energy: -37.029701
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -7.573
flat angles C4'-P-C4' energy: -9.213
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: -2.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -65.141197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.141197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.141197 (E_RNA)
where:
Base-Base interactions energy: -23.775
where: short stacking energy: -23.584
Base-Backbone interact. energy: -0.025
local terms energy: -41.340538
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -7.338
flat angles P-C4'-P energy: -6.970
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: 10
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -60.290276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.290276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.290276 (E_RNA)
where:
Base-Base interactions energy: -32.200
where: short stacking energy: -22.113
Base-Backbone interact. energy: -0.178
local terms energy: -27.912005
where:
bonds (distance) C4'-P energy: -6.349
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -2.881
flat angles P-C4'-P energy: -6.504
tors. eta vs tors. theta energy: -1.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -58.258220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.258220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.258220 (E_RNA)
where:
Base-Base interactions energy: -15.644
where: short stacking energy: -12.769
Base-Backbone interact. energy: 0.986
local terms energy: -43.599890
where:
bonds (distance) C4'-P energy: -9.470
bonds (distance) P-C4' energy: -13.351
flat angles C4'-P-C4' energy: -9.939
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -3.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -61.083941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.083941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.083941 (E_RNA)
where:
Base-Base interactions energy: -19.222
where: short stacking energy: -19.008
Base-Backbone interact. energy: -0.064
local terms energy: -41.798502
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -6.839
flat angles C4'-P-C4' energy: -10.767
flat angles P-C4'-P energy: -6.182
tors. eta vs tors. theta energy: -7.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -117.297807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.297807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.297807 (E_RNA)
where:
Base-Base interactions energy: -65.555
where: short stacking energy: -44.841
Base-Backbone interact. energy: -0.448
local terms energy: -51.295750
where:
bonds (distance) C4'-P energy: -9.841
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -10.343
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -9.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -128.292072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.292072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.292072 (E_RNA)
where:
Base-Base interactions energy: -78.939
where: short stacking energy: -42.835
Base-Backbone interact. energy: -0.002
local terms energy: -49.351573
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -11.540
flat angles C4'-P-C4' energy: -10.098
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -9.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -100.841099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.841099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.841099 (E_RNA)
where:
Base-Base interactions energy: -51.691
where: short stacking energy: -35.031
Base-Backbone interact. energy: -0.001
local terms energy: -49.149129
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -8.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -86.697510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.697510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.697510 (E_RNA)
where:
Base-Base interactions energy: -50.357
where: short stacking energy: -16.664
Base-Backbone interact. energy: 0.553
local terms energy: -36.893246
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -10.407
flat angles C4'-P-C4' energy: -8.193
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: 0.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -83.586883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.586883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.586883 (E_RNA)
where:
Base-Base interactions energy: -35.083
where: short stacking energy: -20.584
Base-Backbone interact. energy: -0.041
local terms energy: -48.462759
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -2.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -103.345069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.345069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.345069 (E_RNA)
where:
Base-Base interactions energy: -64.312
where: short stacking energy: -31.129
Base-Backbone interact. energy: -0.662
local terms energy: -38.370930
where:
bonds (distance) C4'-P energy: -9.345
bonds (distance) P-C4' energy: -9.485
flat angles C4'-P-C4' energy: -7.450
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -3.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -69.235310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.235310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.235310 (E_RNA)
where:
Base-Base interactions energy: -23.195
where: short stacking energy: -15.775
Base-Backbone interact. energy: -0.006
local terms energy: -46.034545
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -10.418
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -5.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -67.236426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.236426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.236426 (E_RNA)
where:
Base-Base interactions energy: -31.803
where: short stacking energy: -15.752
Base-Backbone interact. energy: 0.210
local terms energy: -35.643332
where:
bonds (distance) C4'-P energy: -9.114
bonds (distance) P-C4' energy: -9.708
flat angles C4'-P-C4' energy: -5.967
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -2.411
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: 6
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -53.857008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.857008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.857008 (E_RNA)
where:
Base-Base interactions energy: -17.757
where: short stacking energy: -16.905
Base-Backbone interact. energy: -0.031
local terms energy: -36.069195
where:
bonds (distance) C4'-P energy: -6.005
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -7.599
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -1.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -58.441841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.441841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.441841 (E_RNA)
where:
Base-Base interactions energy: -34.975
where: short stacking energy: -13.588
Base-Backbone interact. energy: -0.067
local terms energy: -23.400339
where:
bonds (distance) C4'-P energy: -4.501
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -8.132
flat angles P-C4'-P energy: -2.448
tors. eta vs tors. theta energy: 2.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -117.148079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.148079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.148079 (E_RNA)
where:
Base-Base interactions energy: -73.274
where: short stacking energy: -41.479
Base-Backbone interact. energy: 1.487
local terms energy: -45.360943
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -12.220
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: -2.682
tors. eta vs tors. theta energy: -10.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -84.531208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.531208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.531208 (E_RNA)
where:
Base-Base interactions energy: -43.357
where: short stacking energy: -22.670
Base-Backbone interact. energy: -0.139
local terms energy: -41.035503
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -11.717
flat angles P-C4'-P energy: -3.833
tors. eta vs tors. theta energy: -2.560
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: 7
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -91.020363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.020363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.020363 (E_RNA)
where:
Base-Base interactions energy: -46.856
where: short stacking energy: -33.514
Base-Backbone interact. energy: -0.006
local terms energy: -44.157672
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -6.167
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -6.071
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: 5
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -71.306431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.306431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.306431 (E_RNA)
where:
Base-Base interactions energy: -34.132
where: short stacking energy: -22.127
Base-Backbone interact. energy: -0.269
local terms energy: -36.905399
where:
bonds (distance) C4'-P energy: -7.850
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -8.459
flat angles P-C4'-P energy: -5.627
tors. eta vs tors. theta energy: -2.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -68.645954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.645954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.645954 (E_RNA)
where:
Base-Base interactions energy: -32.319
where: short stacking energy: -19.753
Base-Backbone interact. energy: -1.491
local terms energy: -34.835269
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -7.790
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: 1.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -69.829675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.829675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.829675 (E_RNA)
where:
Base-Base interactions energy: -32.103
where: short stacking energy: -27.762
Base-Backbone interact. energy: -0.102
local terms energy: -37.624493
where:
bonds (distance) C4'-P energy: -8.260
bonds (distance) P-C4' energy: -9.007
flat angles C4'-P-C4' energy: -9.092
flat angles P-C4'-P energy: -4.013
tors. eta vs tors. theta energy: -7.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -64.533098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.533098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.533098 (E_RNA)
where:
Base-Base interactions energy: -25.657
where: short stacking energy: -24.480
Base-Backbone interact. energy: -0.099
local terms energy: -38.777758
where:
bonds (distance) C4'-P energy: -5.639
bonds (distance) P-C4' energy: -9.450
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -6.309
tors. eta vs tors. theta energy: -5.979
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: 8, replica: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -52.415501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.415501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.415501 (E_RNA)
where:
Base-Base interactions energy: -21.853
where: short stacking energy: -9.029
Base-Backbone interact. energy: -0.111
local terms energy: -30.452271
where:
bonds (distance) C4'-P energy: -7.971
bonds (distance) P-C4' energy: -5.906
flat angles C4'-P-C4' energy: -9.105
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: 0.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -56.397599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.397599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.397599 (E_RNA)
where:
Base-Base interactions energy: -21.023
where: short stacking energy: -20.206
Base-Backbone interact. energy: -0.048
local terms energy: -35.326827
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -8.735
flat angles C4'-P-C4' energy: -9.816
flat angles P-C4'-P energy: -3.244
tors. eta vs tors. theta energy: -3.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -50.684473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.684473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.684473 (E_RNA)
where:
Base-Base interactions energy: -15.244
where: short stacking energy: -15.008
Base-Backbone interact. energy: -0.107
local terms energy: -35.334127
where:
bonds (distance) C4'-P energy: -7.313
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -6.732
flat angles P-C4'-P energy: -7.287
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: 1, replica: 8
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -119.021870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.021870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.021870 (E_RNA)
where:
Base-Base interactions energy: -69.785
where: short stacking energy: -36.831
Base-Backbone interact. energy: -0.093
local terms energy: -49.144485
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -10.055
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -6.252
tors. eta vs tors. theta energy: -9.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -106.642203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.642203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.642203 (E_RNA)
where:
Base-Base interactions energy: -54.643
where: short stacking energy: -38.875
Base-Backbone interact. energy: -0.000
local terms energy: -51.999031
where:
bonds (distance) C4'-P energy: -10.201
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -10.650
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -9.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -84.118584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.118584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.118584 (E_RNA)
where:
Base-Base interactions energy: -37.771
where: short stacking energy: -26.487
Base-Backbone interact. energy: -0.001
local terms energy: -46.347207
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -10.055
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -6.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -89.178547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.178547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.178547 (E_RNA)
where:
Base-Base interactions energy: -45.571
where: short stacking energy: -25.177
Base-Backbone interact. energy: -0.294
local terms energy: -43.313818
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -8.381
flat angles C4'-P-C4' energy: -10.208
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -4.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -80.721554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.721554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.721554 (E_RNA)
where:
Base-Base interactions energy: -38.628
where: short stacking energy: -28.402
Base-Backbone interact. energy: -0.002
local terms energy: -42.091920
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -9.066
flat angles C4'-P-C4' energy: -7.080
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -6.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -60.885605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.885605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.885605 (E_RNA)
where:
Base-Base interactions energy: -22.329
where: short stacking energy: -20.224
Base-Backbone interact. energy: -0.086
local terms energy: -38.470950
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -10.726
flat angles P-C4'-P energy: -5.153
tors. eta vs tors. theta energy: 0.351
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: 410
Temperature: 1.200000
Total energy: -61.232681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.232681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.232681 (E_RNA)
where:
Base-Base interactions energy: -20.441
where: short stacking energy: -18.786
Base-Backbone interact. energy: -0.760
local terms energy: -40.032121
where:
bonds (distance) C4'-P energy: -6.985
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -10.099
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -4.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -62.764195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.764195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.764195 (E_RNA)
where:
Base-Base interactions energy: -27.809
where: short stacking energy: -16.072
Base-Backbone interact. energy: -0.097
local terms energy: -34.857800
where:
bonds (distance) C4'-P energy: -2.780
bonds (distance) P-C4' energy: -9.743
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -5.456
tors. eta vs tors. theta energy: -4.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -63.784240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.784240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.784240 (E_RNA)
where:
Base-Base interactions energy: -26.111
where: short stacking energy: -26.111
Base-Backbone interact. energy: -0.117
local terms energy: -37.555886
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -6.544
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -2.198
tors. eta vs tors. theta energy: -4.465
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: 4
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -51.572466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.572466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.572466 (E_RNA)
where:
Base-Base interactions energy: -14.212
where: short stacking energy: -9.265
Base-Backbone interact. energy: -0.027
local terms energy: -37.333714
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -9.935
flat angles C4'-P-C4' energy: -5.278
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -3.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -130.019000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.019000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.019000 (E_RNA)
where:
Base-Base interactions energy: -75.350
where: short stacking energy: -37.762
Base-Backbone interact. energy: -0.912
local terms energy: -53.757680
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -13.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -125.734049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.734049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.734049 (E_RNA)
where:
Base-Base interactions energy: -76.834
where: short stacking energy: -38.576
Base-Backbone interact. energy: -0.083
local terms energy: -48.817056
where:
bonds (distance) C4'-P energy: -7.681
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -4.799
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: 3, replica: 5
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -91.793532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.793532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.793532 (E_RNA)
where:
Base-Base interactions energy: -46.304
where: short stacking energy: -35.136
Base-Backbone interact. energy: -0.041
local terms energy: -45.448806
where:
bonds (distance) C4'-P energy: -10.026
bonds (distance) P-C4' energy: -9.295
flat angles C4'-P-C4' energy: -11.573
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -6.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -78.278415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.278415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.278415 (E_RNA)
where:
Base-Base interactions energy: -34.563
where: short stacking energy: -29.277
Base-Backbone interact. energy: -0.017
local terms energy: -43.698738
where:
bonds (distance) C4'-P energy: -10.880
bonds (distance) P-C4' energy: -8.815
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -4.804
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: 5, replica: 7
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -67.784508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.784508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.784508 (E_RNA)
where:
Base-Base interactions energy: -34.167
where: short stacking energy: -17.160
Base-Backbone interact. energy: -0.075
local terms energy: -33.542630
where:
bonds (distance) C4'-P energy: -9.221
bonds (distance) P-C4' energy: -10.416
flat angles C4'-P-C4' energy: -7.754
flat angles P-C4'-P energy: -5.081
tors. eta vs tors. theta energy: -1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -69.558867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.558867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.558867 (E_RNA)
where:
Base-Base interactions energy: -26.698
where: short stacking energy: -26.698
Base-Backbone interact. energy: -0.002
local terms energy: -42.858581
where:
bonds (distance) C4'-P energy: -9.060
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -5.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -66.677374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.677374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.677374 (E_RNA)
where:
Base-Base interactions energy: -33.386
where: short stacking energy: -18.930
Base-Backbone interact. energy: -0.132
local terms energy: -33.159328
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -8.123
flat angles C4'-P-C4' energy: -8.214
flat angles P-C4'-P energy: -4.964
tors. eta vs tors. theta energy: -2.265
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: 1
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -63.829473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.829473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.829473 (E_RNA)
where:
Base-Base interactions energy: -20.678
where: short stacking energy: -18.514
Base-Backbone interact. energy: -0.021
local terms energy: -43.130911
where:
bonds (distance) C4'-P energy: -9.730
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -7.168
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -6.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -61.166126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.166126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.166126 (E_RNA)
where:
Base-Base interactions energy: -41.452
where: short stacking energy: -16.817
Base-Backbone interact. energy: -0.107
local terms energy: -19.607149
where:
bonds (distance) C4'-P energy: -8.435
bonds (distance) P-C4' energy: -6.651
flat angles C4'-P-C4' energy: -1.432
flat angles P-C4'-P energy: -1.589
tors. eta vs tors. theta energy: -1.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -49.557925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.557925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.557925 (E_RNA)
where:
Base-Base interactions energy: -17.078
where: short stacking energy: -15.248
Base-Backbone interact. energy: -0.073
local terms energy: -32.407516
where:
bonds (distance) C4'-P energy: -9.448
bonds (distance) P-C4' energy: -10.464
flat angles C4'-P-C4' energy: -9.093
flat angles P-C4'-P energy: -4.665
tors. eta vs tors. theta energy: 1.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -130.037171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.037171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.037171 (E_RNA)
where:
Base-Base interactions energy: -77.370
where: short stacking energy: -41.899
Base-Backbone interact. energy: -0.485
local terms energy: -52.182278
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -4.782
tors. eta vs tors. theta energy: -11.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -128.350382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.350382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.350382 (E_RNA)
where:
Base-Base interactions energy: -76.972
where: short stacking energy: -35.017
Base-Backbone interact. energy: -0.576
local terms energy: -50.802633
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -9.975
flat angles P-C4'-P energy: -6.196
tors. eta vs tors. theta energy: -9.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -96.904336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.904336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.904336 (E_RNA)
where:
Base-Base interactions energy: -47.737
where: short stacking energy: -29.545
Base-Backbone interact. energy: -0.149
local terms energy: -49.018950
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -11.589
flat angles P-C4'-P energy: -9.254
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: 4, replica: 10
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -75.618049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.618049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.618049 (E_RNA)
where:
Base-Base interactions energy: -36.778
where: short stacking energy: -28.821
Base-Backbone interact. energy: -0.034
local terms energy: -38.806196
where:
bonds (distance) C4'-P energy: -8.493
bonds (distance) P-C4' energy: -10.664
flat angles C4'-P-C4' energy: -9.667
flat angles P-C4'-P energy: -5.200
tors. eta vs tors. theta energy: -4.782
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: 9
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -66.263575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.263575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.263575 (E_RNA)
where:
Base-Base interactions energy: -31.801
where: short stacking energy: -24.550
Base-Backbone interact. energy: -0.027
local terms energy: -34.435677
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -6.442
flat angles C4'-P-C4' energy: -10.327
flat angles P-C4'-P energy: -5.190
tors. eta vs tors. theta energy: -1.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -70.070983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.070983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.070983 (E_RNA)
where:
Base-Base interactions energy: -28.454
where: short stacking energy: -21.097
Base-Backbone interact. energy: -0.545
local terms energy: -41.071353
where:
bonds (distance) C4'-P energy: -7.461
bonds (distance) P-C4' energy: -10.957
flat angles C4'-P-C4' energy: -8.476
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -4.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -73.054106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.054106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.054106 (E_RNA)
where:
Base-Base interactions energy: -30.448
where: short stacking energy: -21.810
Base-Backbone interact. energy: -0.018
local terms energy: -42.588544
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -11.329
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -1.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -62.208653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.208653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.208653 (E_RNA)
where:
Base-Base interactions energy: -20.179
where: short stacking energy: -16.076
Base-Backbone interact. energy: -0.160
local terms energy: -41.870396
where:
bonds (distance) C4'-P energy: -8.666
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -9.861
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: 9, replica: 4
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -56.032422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.032422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.032422 (E_RNA)
where:
Base-Base interactions energy: -24.519
where: short stacking energy: -14.871
Base-Backbone interact. energy: -0.274
local terms energy: -31.239223
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -7.346
flat angles C4'-P-C4' energy: -8.089
flat angles P-C4'-P energy: -4.841
tors. eta vs tors. theta energy: -1.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -51.269162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.269162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.269162 (E_RNA)
where:
Base-Base interactions energy: -12.291
where: short stacking energy: -11.975
Base-Backbone interact. energy: -0.267
local terms energy: -38.710936
where:
bonds (distance) C4'-P energy: -9.895
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -5.219
tors. eta vs tors. theta energy: 1.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -131.048616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.048616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.048616 (E_RNA)
where:
Base-Base interactions energy: -76.379
where: short stacking energy: -38.527
Base-Backbone interact. energy: -0.140
local terms energy: -54.529199
where:
bonds (distance) C4'-P energy: -9.941
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -12.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -129.125320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.125320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.125320 (E_RNA)
where:
Base-Base interactions energy: -77.121
where: short stacking energy: -34.582
Base-Backbone interact. energy: -0.029
local terms energy: -51.975600
where:
bonds (distance) C4'-P energy: -9.343
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -9.277
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: 3, replica: 5
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -93.628175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.628175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.628175 (E_RNA)
where:
Base-Base interactions energy: -47.268
where: short stacking energy: -33.550
Base-Backbone interact. energy: -1.374
local terms energy: -44.986377
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -10.716
flat angles C4'-P-C4' energy: -9.521
flat angles P-C4'-P energy: -6.371
tors. eta vs tors. theta energy: -7.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -82.051733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.051733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.051733 (E_RNA)
where:
Base-Base interactions energy: -42.444
where: short stacking energy: -22.265
Base-Backbone interact. energy: -0.071
local terms energy: -39.536685
where:
bonds (distance) C4'-P energy: -9.602
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -4.482
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: 5, replica: 10
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -66.283544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.283544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.283544 (E_RNA)
where:
Base-Base interactions energy: -29.195
where: short stacking energy: -28.758
Base-Backbone interact. energy: -0.708
local terms energy: -36.380729
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -9.428
flat angles C4'-P-C4' energy: -8.042
flat angles P-C4'-P energy: -3.712
tors. eta vs tors. theta energy: -5.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -66.753688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.753688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.753688 (E_RNA)
where:
Base-Base interactions energy: -25.951
where: short stacking energy: -20.376
Base-Backbone interact. energy: -0.136
local terms energy: -40.666691
where:
bonds (distance) C4'-P energy: -7.056
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -9.941
flat angles P-C4'-P energy: -7.917
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: 7, replica: 1
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -59.471339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.471339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.471339 (E_RNA)
where:
Base-Base interactions energy: -21.039
where: short stacking energy: -19.038
Base-Backbone interact. energy: -0.075
local terms energy: -38.358081
where:
bonds (distance) C4'-P energy: -9.043
bonds (distance) P-C4' energy: -6.772
flat angles C4'-P-C4' energy: -10.734
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -4.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -63.376222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.376222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.376222 (E_RNA)
where:
Base-Base interactions energy: -20.245
where: short stacking energy: -14.312
Base-Backbone interact. energy: -0.356
local terms energy: -42.775238
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -7.745
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -2.743
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: 9, replica: 6
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -58.647510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.647510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.647510 (E_RNA)
where:
Base-Base interactions energy: -26.106
where: short stacking energy: -19.843
Base-Backbone interact. energy: 1.279
local terms energy: -33.819857
where:
bonds (distance) C4'-P energy: -9.750
bonds (distance) P-C4' energy: -6.821
flat angles C4'-P-C4' energy: -7.899
flat angles P-C4'-P energy: -4.189
tors. eta vs tors. theta energy: -5.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -58.298162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.298162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.298162 (E_RNA)
where:
Base-Base interactions energy: -23.328
where: short stacking energy: -16.848
Base-Backbone interact. energy: -0.003
local terms energy: -34.967446
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -9.181
flat angles C4'-P-C4' energy: -7.482
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: 0.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -126.930241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.930241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.930241 (E_RNA)
where:
Base-Base interactions energy: -76.341
where: short stacking energy: -36.376
Base-Backbone interact. energy: -0.013
local terms energy: -50.576566
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -9.960
flat angles C4'-P-C4' energy: -9.566
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -11.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -117.959719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.959719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.959719 (E_RNA)
where:
Base-Base interactions energy: -69.823
where: short stacking energy: -38.718
Base-Backbone interact. energy: 0.177
local terms energy: -48.313146
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -6.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -70.011175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.011175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.011175 (E_RNA)
where:
Base-Base interactions energy: -22.747
where: short stacking energy: -22.747
Base-Backbone interact. energy: -1.207
local terms energy: -46.057576
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -8.096
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -3.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -77.423127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.423127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.423127 (E_RNA)
where:
Base-Base interactions energy: -33.179
where: short stacking energy: -24.991
Base-Backbone interact. energy: -0.166
local terms energy: -44.078442
where:
bonds (distance) C4'-P energy: -12.238
bonds (distance) P-C4' energy: -9.315
flat angles C4'-P-C4' energy: -9.091
flat angles P-C4'-P energy: -7.350
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: 5, replica: 7
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -69.275060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.275060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.275060 (E_RNA)
where:
Base-Base interactions energy: -26.507
where: short stacking energy: -22.074
Base-Backbone interact. energy: -0.098
local terms energy: -42.670220
where:
bonds (distance) C4'-P energy: -7.346
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -4.194
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: 10
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -64.220985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.220985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.220985 (E_RNA)
where:
Base-Base interactions energy: -22.811
where: short stacking energy: -22.811
Base-Backbone interact. energy: -0.002
local terms energy: -41.407726
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -7.364
flat angles P-C4'-P energy: -5.774
tors. eta vs tors. theta energy: -5.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -66.368992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.368992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.368992 (E_RNA)
where:
Base-Base interactions energy: -25.725
where: short stacking energy: -24.725
Base-Backbone interact. energy: -0.022
local terms energy: -40.622379
where:
bonds (distance) C4'-P energy: -10.541
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -8.846
flat angles P-C4'-P energy: -4.568
tors. eta vs tors. theta energy: -3.892
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: 4
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -63.819909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.819909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.819909 (E_RNA)
where:
Base-Base interactions energy: -21.297
where: short stacking energy: -18.823
Base-Backbone interact. energy: -0.077
local terms energy: -42.446132
where:
bonds (distance) C4'-P energy: -7.424
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -10.932
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -3.505
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: 414
Temperature: 1.300000
Total energy: -66.040364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.040364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.040364 (E_RNA)
where:
Base-Base interactions energy: -25.758
where: short stacking energy: -19.917
Base-Backbone interact. energy: -0.017
local terms energy: -40.265029
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -8.124
flat angles P-C4'-P energy: -5.641
tors. eta vs tors. theta energy: -3.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -55.028524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.028524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.028524 (E_RNA)
where:
Base-Base interactions energy: -21.523
where: short stacking energy: -21.523
Base-Backbone interact. energy: 1.640
local terms energy: -35.145307
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -9.678
flat angles C4'-P-C4' energy: -10.086
flat angles P-C4'-P energy: -2.010
tors. eta vs tors. theta energy: -2.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -100.072312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.072312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.072312 (E_RNA)
where:
Base-Base interactions energy: -52.744
where: short stacking energy: -34.026
Base-Backbone interact. energy: -0.016
local terms energy: -47.311380
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -8.853
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -6.119
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: 2
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -116.755773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.755773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.755773 (E_RNA)
where:
Base-Base interactions energy: -71.732
where: short stacking energy: -34.748
Base-Backbone interact. energy: -0.003
local terms energy: -45.021562
where:
bonds (distance) C4'-P energy: -10.295
bonds (distance) P-C4' energy: -9.528
flat angles C4'-P-C4' energy: -9.103
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -8.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -71.691486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.691486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.691486 (E_RNA)
where:
Base-Base interactions energy: -25.307
where: short stacking energy: -25.307
Base-Backbone interact. energy: -0.014
local terms energy: -46.371083
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -9.451
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -6.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -67.927016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.927016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.927016 (E_RNA)
where:
Base-Base interactions energy: -33.756
where: short stacking energy: -21.647
Base-Backbone interact. energy: -0.149
local terms energy: -34.021604
where:
bonds (distance) C4'-P energy: -8.988
bonds (distance) P-C4' energy: -10.005
flat angles C4'-P-C4' energy: -10.321
flat angles P-C4'-P energy: -3.333
tors. eta vs tors. theta energy: -1.374
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: 5
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -92.767297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.767297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.767297 (E_RNA)
where:
Base-Base interactions energy: -50.462
where: short stacking energy: -23.761
Base-Backbone interact. energy: -0.459
local terms energy: -41.846872
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -9.076
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -4.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -73.766915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.766915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.766915 (E_RNA)
where:
Base-Base interactions energy: -28.608
where: short stacking energy: -13.949
Base-Backbone interact. energy: -0.148
local terms energy: -45.011341
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -1.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -60.745105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.745105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.745105 (E_RNA)
where:
Base-Base interactions energy: -19.102
where: short stacking energy: -18.510
Base-Backbone interact. energy: -0.004
local terms energy: -41.639548
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -8.516
flat angles P-C4'-P energy: -6.554
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: 8, replica: 3
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -59.809842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.809842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.809842 (E_RNA)
where:
Base-Base interactions energy: -24.792
where: short stacking energy: -11.171
Base-Backbone interact. energy: -0.104
local terms energy: -34.913861
where:
bonds (distance) C4'-P energy: -7.366
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -7.827
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: 1.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -68.174409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.174409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.174409 (E_RNA)
where:
Base-Base interactions energy: -38.941
where: short stacking energy: -10.261
Base-Backbone interact. energy: -0.488
local terms energy: -28.745050
where:
bonds (distance) C4'-P energy: -9.243
bonds (distance) P-C4' energy: -4.558
flat angles C4'-P-C4' energy: -10.993
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: 2.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -59.136199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.136199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.136199 (E_RNA)
where:
Base-Base interactions energy: -20.588
where: short stacking energy: -17.600
Base-Backbone interact. energy: 0.955
local terms energy: -39.503606
where:
bonds (distance) C4'-P energy: -8.472
bonds (distance) P-C4' energy: -10.953
flat angles C4'-P-C4' energy: -9.349
flat angles P-C4'-P energy: -6.362
tors. eta vs tors. theta energy: -4.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -119.466940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.466940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.466940 (E_RNA)
where:
Base-Base interactions energy: -76.269
where: short stacking energy: -35.619
Base-Backbone interact. energy: -0.052
local terms energy: -43.146261
where:
bonds (distance) C4'-P energy: -8.571
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -10.747
flat angles P-C4'-P energy: -5.564
tors. eta vs tors. theta energy: -6.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -113.246794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.246794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.246794 (E_RNA)
where:
Base-Base interactions energy: -61.947
where: short stacking energy: -24.096
Base-Backbone interact. energy: -0.211
local terms energy: -51.088753
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: -7.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -82.964179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.964179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.964179 (E_RNA)
where:
Base-Base interactions energy: -34.395
where: short stacking energy: -29.879
Base-Backbone interact. energy: -3.084
local terms energy: -45.485149
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -8.982
flat angles C4'-P-C4' energy: -9.771
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -7.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -71.003835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.003835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.003835 (E_RNA)
where:
Base-Base interactions energy: -30.151
where: short stacking energy: -28.858
Base-Backbone interact. energy: -0.045
local terms energy: -40.807364
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -9.732
flat angles C4'-P-C4' energy: -9.095
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -3.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -67.051884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.051884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.051884 (E_RNA)
where:
Base-Base interactions energy: -25.043
where: short stacking energy: -21.111
Base-Backbone interact. energy: -0.039
local terms energy: -41.970182
where:
bonds (distance) C4'-P energy: -11.385
bonds (distance) P-C4' energy: -11.107
flat angles C4'-P-C4' energy: -10.399
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -0.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -63.654421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.654421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.654421 (E_RNA)
where:
Base-Base interactions energy: -25.506
where: short stacking energy: -25.506
Base-Backbone interact. energy: 0.123
local terms energy: -38.270909
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -9.582
flat angles C4'-P-C4' energy: -7.787
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -3.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -62.732021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.732021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.732021 (E_RNA)
where:
Base-Base interactions energy: -22.426
where: short stacking energy: -17.061
Base-Backbone interact. energy: -0.106
local terms energy: -40.200143
where:
bonds (distance) C4'-P energy: -11.265
bonds (distance) P-C4' energy: -9.548
flat angles C4'-P-C4' energy: -10.327
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -1.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -60.025468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.025468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.025468 (E_RNA)
where:
Base-Base interactions energy: -30.447
where: short stacking energy: -26.992
Base-Backbone interact. energy: -0.090
local terms energy: -29.488742
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -6.534
flat angles P-C4'-P energy: 2.159
tors. eta vs tors. theta energy: -0.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -59.161044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.161044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.161044 (E_RNA)
where:
Base-Base interactions energy: -27.006
where: short stacking energy: -15.258
Base-Backbone interact. energy: 0.586
local terms energy: -32.740922
where:
bonds (distance) C4'-P energy: -8.339
bonds (distance) P-C4' energy: -10.094
flat angles C4'-P-C4' energy: -10.030
flat angles P-C4'-P energy: -3.517
tors. eta vs tors. theta energy: -0.761
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: 4
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -59.586165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.586165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.586165 (E_RNA)
where:
Base-Base interactions energy: -24.191
where: short stacking energy: -12.887
Base-Backbone interact. energy: -0.920
local terms energy: -34.475365
where:
bonds (distance) C4'-P energy: -8.219
bonds (distance) P-C4' energy: -9.463
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: 0.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -135.084412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.084412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.084412 (E_RNA)
where:
Base-Base interactions energy: -84.987
where: short stacking energy: -42.161
Base-Backbone interact. energy: -0.006
local terms energy: -50.091178
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -9.739
flat angles C4'-P-C4' energy: -9.642
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -9.610
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: 8
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -113.500113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.500113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.500113 (E_RNA)
where:
Base-Base interactions energy: -66.326
where: short stacking energy: -29.818
Base-Backbone interact. energy: -0.249
local terms energy: -46.925444
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -7.996
flat angles P-C4'-P energy: -5.829
tors. eta vs tors. theta energy: -10.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -73.267959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.267959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.267959 (E_RNA)
where:
Base-Base interactions energy: -29.975
where: short stacking energy: -14.020
Base-Backbone interact. energy: -0.059
local terms energy: -43.234112
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -10.036
flat angles P-C4'-P energy: -5.542
tors. eta vs tors. theta energy: -3.573
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: 5
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -74.607860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.607860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.607860 (E_RNA)
where:
Base-Base interactions energy: -27.120
where: short stacking energy: -26.594
Base-Backbone interact. energy: -0.001
local terms energy: -47.487303
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -9.806
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -7.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -74.127495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.127495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.127495 (E_RNA)
where:
Base-Base interactions energy: -26.819
where: short stacking energy: -26.819
Base-Backbone interact. energy: -0.000
local terms energy: -47.307895
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -10.616
flat angles P-C4'-P energy: -4.219
tors. eta vs tors. theta energy: -9.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -69.254252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.254252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.254252 (E_RNA)
where:
Base-Base interactions energy: -33.560
where: short stacking energy: -21.212
Base-Backbone interact. energy: -0.069
local terms energy: -35.624946
where:
bonds (distance) C4'-P energy: -10.175
bonds (distance) P-C4' energy: -11.364
flat angles C4'-P-C4' energy: -4.026
flat angles P-C4'-P energy: -3.620
tors. eta vs tors. theta energy: -6.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -67.662854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.662854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.662854 (E_RNA)
where:
Base-Base interactions energy: -22.958
where: short stacking energy: -20.045
Base-Backbone interact. energy: -0.002
local terms energy: -44.702407
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -8.590
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -6.451
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: 6
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -63.644539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.644539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.644539 (E_RNA)
where:
Base-Base interactions energy: -21.415
where: short stacking energy: -17.593
Base-Backbone interact. energy: -0.001
local terms energy: -42.228595
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -10.693
flat angles C4'-P-C4' energy: -6.198
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -5.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -64.395687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.395687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.395687 (E_RNA)
where:
Base-Base interactions energy: -28.708
where: short stacking energy: -17.307
Base-Backbone interact. energy: -0.028
local terms energy: -35.660145
where:
bonds (distance) C4'-P energy: -4.861
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -9.884
flat angles P-C4'-P energy: -5.985
tors. eta vs tors. theta energy: -3.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -51.245373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.245373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.245373 (E_RNA)
where:
Base-Base interactions energy: -12.764
where: short stacking energy: -12.764
Base-Backbone interact. energy: -0.023
local terms energy: -38.458761
where:
bonds (distance) C4'-P energy: -9.313
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -10.313
flat angles P-C4'-P energy: -4.552
tors. eta vs tors. theta energy: -1.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -114.836022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.836022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.836022 (E_RNA)
where:
Base-Base interactions energy: -61.632
where: short stacking energy: -32.029
Base-Backbone interact. energy: -0.001
local terms energy: -53.203414
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -11.153
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -10.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -114.675130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.675130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.675130 (E_RNA)
where:
Base-Base interactions energy: -64.542
where: short stacking energy: -32.272
Base-Backbone interact. energy: 0.002
local terms energy: -50.135529
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -10.142
flat angles P-C4'-P energy: -5.389
tors. eta vs tors. theta energy: -11.209
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: 418
Temperature: 1.000000
Total energy: -82.923136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.923136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.923136 (E_RNA)
where:
Base-Base interactions energy: -37.342
where: short stacking energy: -28.721
Base-Backbone interact. energy: -0.052
local terms energy: -45.528984
where:
bonds (distance) C4'-P energy: -7.744
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -8.225
flat angles P-C4'-P energy: -9.138
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: 4, replica: 7
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -75.167483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.167483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.167483 (E_RNA)
where:
Base-Base interactions energy: -33.295
where: short stacking energy: -10.815
Base-Backbone interact. energy: -0.114
local terms energy: -41.758034
where:
bonds (distance) C4'-P energy: -10.450
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: 0.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -80.236543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.236543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.236543 (E_RNA)
where:
Base-Base interactions energy: -45.949
where: short stacking energy: -13.578
Base-Backbone interact. energy: 0.081
local terms energy: -34.367856
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -8.402
flat angles P-C4'-P energy: -6.758
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: 6, replica: 9
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -67.395455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.395455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.395455 (E_RNA)
where:
Base-Base interactions energy: -21.338
where: short stacking energy: -19.258
Base-Backbone interact. energy: -0.010
local terms energy: -46.047652
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -6.997
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: 7, replica: 6
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -63.216521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.216521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.216521 (E_RNA)
where:
Base-Base interactions energy: -23.923
where: short stacking energy: -22.432
Base-Backbone interact. energy: -0.229
local terms energy: -39.064673
where:
bonds (distance) C4'-P energy: -8.004
bonds (distance) P-C4' energy: -4.966
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -4.489
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: 418
Temperature: 1.250000
Total energy: -64.475183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.475183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.475183 (E_RNA)
where:
Base-Base interactions energy: -21.708
where: short stacking energy: -21.708
Base-Backbone interact. energy: -0.089
local terms energy: -42.677699
where:
bonds (distance) C4'-P energy: -9.075
bonds (distance) P-C4' energy: -10.846
flat angles C4'-P-C4' energy: -8.028
flat angles P-C4'-P energy: -9.107
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: 9, replica: 10
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -56.688046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.688046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.688046 (E_RNA)
where:
Base-Base interactions energy: -18.980
where: short stacking energy: -12.133
Base-Backbone interact. energy: -0.038
local terms energy: -37.670047
where:
bonds (distance) C4'-P energy: -9.954
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -8.451
flat angles P-C4'-P energy: -9.226
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: 10, replica: 4
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -60.850121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.850121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.850121 (E_RNA)
where:
Base-Base interactions energy: -28.045
where: short stacking energy: -13.639
Base-Backbone interact. energy: 0.317
local terms energy: -33.122567
where:
bonds (distance) C4'-P energy: -5.780
bonds (distance) P-C4' energy: -11.186
flat angles C4'-P-C4' energy: -7.319
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: 0.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -109.703590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.703590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.703590 (E_RNA)
where:
Base-Base interactions energy: -62.472
where: short stacking energy: -27.977
Base-Backbone interact. energy: -0.089
local terms energy: -47.142646
where:
bonds (distance) C4'-P energy: -9.424
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -9.430
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -7.981
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: 2, replica: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -122.406617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.406617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.406617 (E_RNA)
where:
Base-Base interactions energy: -78.953
where: short stacking energy: -39.953
Base-Backbone interact. energy: -0.184
local terms energy: -43.269588
where:
bonds (distance) C4'-P energy: -8.670
bonds (distance) P-C4' energy: -7.493
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -5.848
tors. eta vs tors. theta energy: -9.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -81.914369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.914369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.914369 (E_RNA)
where:
Base-Base interactions energy: -34.652
where: short stacking energy: -34.652
Base-Backbone interact. energy: -0.000
local terms energy: -47.261704
where:
bonds (distance) C4'-P energy: -8.712
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -10.351
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -9.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -94.504797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.504797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.504797 (E_RNA)
where:
Base-Base interactions energy: -47.381
where: short stacking energy: -31.569
Base-Backbone interact. energy: -0.109
local terms energy: -47.014238
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -10.858
flat angles C4'-P-C4' energy: -10.371
flat angles P-C4'-P energy: -4.459
tors. eta vs tors. theta energy: -9.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -70.667848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.667848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.667848 (E_RNA)
where:
Base-Base interactions energy: -30.362
where: short stacking energy: -18.959
Base-Backbone interact. energy: -0.127
local terms energy: -40.178817
where:
bonds (distance) C4'-P energy: -9.679
bonds (distance) P-C4' energy: -12.026
flat angles C4'-P-C4' energy: -8.651
flat angles P-C4'-P energy: -5.732
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: 6, replica: 6
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -83.361480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.361480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.361480 (E_RNA)
where:
Base-Base interactions energy: -45.625
where: short stacking energy: -13.218
Base-Backbone interact. energy: -0.419
local terms energy: -37.317053
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -9.582
flat angles P-C4'-P energy: -5.538
tors. eta vs tors. theta energy: 3.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -58.941733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.941733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.941733 (E_RNA)
where:
Base-Base interactions energy: -25.863
where: short stacking energy: -17.921
Base-Backbone interact. energy: -0.215
local terms energy: -32.863687
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -9.213
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -3.026
tors. eta vs tors. theta energy: 1.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -68.999606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.999606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.999606 (E_RNA)
where:
Base-Base interactions energy: -40.435
where: short stacking energy: -23.798
Base-Backbone interact. energy: -0.252
local terms energy: -28.312375
where:
bonds (distance) C4'-P energy: -6.245
bonds (distance) P-C4' energy: -9.815
flat angles C4'-P-C4' energy: -6.602
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: 1.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -69.088103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.088103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.088103 (E_RNA)
where:
Base-Base interactions energy: -26.724
where: short stacking energy: -16.152
Base-Backbone interact. energy: -0.021
local terms energy: -42.343559
where:
bonds (distance) C4'-P energy: -5.113
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -6.392
tors. eta vs tors. theta energy: -5.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -68.568946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.568946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.568946 (E_RNA)
where:
Base-Base interactions energy: -40.769
where: short stacking energy: -14.490
Base-Backbone interact. energy: -0.071
local terms energy: -27.728389
where:
bonds (distance) C4'-P energy: -6.616
bonds (distance) P-C4' energy: -8.041
flat angles C4'-P-C4' energy: -4.309
flat angles P-C4'-P energy: -5.016
tors. eta vs tors. theta energy: -3.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -119.897731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.897731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.897731 (E_RNA)
where:
Base-Base interactions energy: -81.449
where: short stacking energy: -37.994
Base-Backbone interact. energy: -0.079
local terms energy: -38.370453
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -9.555
flat angles C4'-P-C4' energy: -9.582
flat angles P-C4'-P energy: -0.808
tors. eta vs tors. theta energy: -6.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -124.162123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.162123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.162123 (E_RNA)
where:
Base-Base interactions energy: -78.623
where: short stacking energy: -30.251
Base-Backbone interact. energy: -0.076
local terms energy: -45.463227
where:
bonds (distance) C4'-P energy: -9.423
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -10.227
flat angles P-C4'-P energy: -4.809
tors. eta vs tors. theta energy: -9.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -112.208047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.208047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.208047 (E_RNA)
where:
Base-Base interactions energy: -61.387
where: short stacking energy: -36.214
Base-Backbone interact. energy: 1.004
local terms energy: -51.825675
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -9.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -89.912623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.912623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.912623 (E_RNA)
where:
Base-Base interactions energy: -48.739
where: short stacking energy: -26.802
Base-Backbone interact. energy: -0.023
local terms energy: -41.151095
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -8.330
flat angles C4'-P-C4' energy: -6.822
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -7.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -75.298886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.298886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.298886 (E_RNA)
where:
Base-Base interactions energy: -36.856
where: short stacking energy: -31.668
Base-Backbone interact. energy: -0.009
local terms energy: -38.434319
where:
bonds (distance) C4'-P energy: -9.714
bonds (distance) P-C4' energy: -10.100
flat angles C4'-P-C4' energy: -9.299
flat angles P-C4'-P energy: -4.639
tors. eta vs tors. theta energy: -4.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -60.373635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.373635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.373635 (E_RNA)
where:
Base-Base interactions energy: -19.899
where: short stacking energy: -14.971
Base-Backbone interact. energy: -0.146
local terms energy: -40.328829
where:
bonds (distance) C4'-P energy: -9.938
bonds (distance) P-C4' energy: -11.297
flat angles C4'-P-C4' energy: -10.507
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -2.454
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: 10
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -61.996051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.996051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.996051 (E_RNA)
where:
Base-Base interactions energy: -23.379
where: short stacking energy: -19.035
Base-Backbone interact. energy: -0.006
local terms energy: -38.610804
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -9.799
flat angles C4'-P-C4' energy: -8.114
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -2.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -64.921508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.921508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.921508 (E_RNA)
where:
Base-Base interactions energy: -26.034
where: short stacking energy: -20.359
Base-Backbone interact. energy: -0.099
local terms energy: -38.787884
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -7.372
flat angles P-C4'-P energy: -6.169
tors. eta vs tors. theta energy: -1.918
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: 4
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -56.975768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.975768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.975768 (E_RNA)
where:
Base-Base interactions energy: -18.196
where: short stacking energy: -17.030
Base-Backbone interact. energy: -0.281
local terms energy: -38.498834
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -9.394
flat angles P-C4'-P energy: -4.949
tors. eta vs tors. theta energy: -0.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -59.095860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.095860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.095860 (E_RNA)
where:
Base-Base interactions energy: -16.615
where: short stacking energy: -15.903
Base-Backbone interact. energy: -0.044
local terms energy: -42.437094
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -6.115
tors. eta vs tors. theta energy: -1.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -138.809203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.809203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.809203 (E_RNA)
where:
Base-Base interactions energy: -89.048
where: short stacking energy: -42.504
Base-Backbone interact. energy: -0.473
local terms energy: -49.287692
where:
bonds (distance) C4'-P energy: -8.551
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -5.431
tors. eta vs tors. theta energy: -12.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -128.452637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.452637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.452637 (E_RNA)
where:
Base-Base interactions energy: -79.961
where: short stacking energy: -28.964
Base-Backbone interact. energy: -0.207
local terms energy: -48.284380
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -11.592
flat angles C4'-P-C4' energy: -9.422
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: -10.560
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: 1
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -86.869054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.869054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.869054 (E_RNA)
where:
Base-Base interactions energy: -44.764
where: short stacking energy: -31.936
Base-Backbone interact. energy: -0.012
local terms energy: -42.093739
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -8.756
flat angles P-C4'-P energy: -5.303
tors. eta vs tors. theta energy: -4.863
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: 6
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -76.856918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.856918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.856918 (E_RNA)
where:
Base-Base interactions energy: -32.197
where: short stacking energy: -27.656
Base-Backbone interact. energy: -0.027
local terms energy: -44.633307
where:
bonds (distance) C4'-P energy: -9.812
bonds (distance) P-C4' energy: -7.165
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -6.823
tors. eta vs tors. theta energy: -7.344
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: 5
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -71.918037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.918037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.918037 (E_RNA)
where:
Base-Base interactions energy: -22.245
where: short stacking energy: -22.245
Base-Backbone interact. energy: -0.113
local terms energy: -49.559600
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -12.811
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: -5.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -69.106625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.106625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.106625 (E_RNA)
where:
Base-Base interactions energy: -36.291
where: short stacking energy: -17.519
Base-Backbone interact. energy: -0.011
local terms energy: -32.804595
where:
bonds (distance) C4'-P energy: -8.107
bonds (distance) P-C4' energy: -10.276
flat angles C4'-P-C4' energy: -9.521
flat angles P-C4'-P energy: -2.284
tors. eta vs tors. theta energy: -2.616
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: 7
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -70.991818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.991818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.991818 (E_RNA)
where:
Base-Base interactions energy: -28.787
where: short stacking energy: -28.787
Base-Backbone interact. energy: -0.004
local terms energy: -42.201401
where:
bonds (distance) C4'-P energy: -6.981
bonds (distance) P-C4' energy: -10.386
flat angles C4'-P-C4' energy: -9.908
flat angles P-C4'-P energy: -6.357
tors. eta vs tors. theta energy: -8.570
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: 4
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -59.695230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.695230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.695230 (E_RNA)
where:
Base-Base interactions energy: -22.465
where: short stacking energy: -22.436
Base-Backbone interact. energy: -0.012
local terms energy: -37.218384
where:
bonds (distance) C4'-P energy: -10.095
bonds (distance) P-C4' energy: -8.700
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -5.001
tors. eta vs tors. theta energy: -1.800
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: 9
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -54.417121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.417121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.417121 (E_RNA)
where:
Base-Base interactions energy: -24.505
where: short stacking energy: -24.505
Base-Backbone interact. energy: -0.108
local terms energy: -29.803876
where:
bonds (distance) C4'-P energy: -0.759
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -8.674
flat angles P-C4'-P energy: -6.000
tors. eta vs tors. theta energy: -2.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -54.834137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.834137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.834137 (E_RNA)
where:
Base-Base interactions energy: -17.778
where: short stacking energy: -16.808
Base-Backbone interact. energy: -0.001
local terms energy: -37.054906
where:
bonds (distance) C4'-P energy: -8.757
bonds (distance) P-C4' energy: -8.999
flat angles C4'-P-C4' energy: -5.684
flat angles P-C4'-P energy: -5.474
tors. eta vs tors. theta energy: -8.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -130.103412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.103412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.103412 (E_RNA)
where:
Base-Base interactions energy: -81.017
where: short stacking energy: -36.299
Base-Backbone interact. energy: -0.490
local terms energy: -48.596411
where:
bonds (distance) C4'-P energy: -9.035
bonds (distance) P-C4' energy: -11.885
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -6.042
tors. eta vs tors. theta energy: -8.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -133.556116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.556116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.556116 (E_RNA)
where:
Base-Base interactions energy: -86.638
where: short stacking energy: -34.008
Base-Backbone interact. energy: -0.340
local terms energy: -46.578824
where:
bonds (distance) C4'-P energy: -8.944
bonds (distance) P-C4' energy: -11.576
flat angles C4'-P-C4' energy: -9.782
flat angles P-C4'-P energy: -5.252
tors. eta vs tors. theta energy: -11.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -88.148225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.148225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.148225 (E_RNA)
where:
Base-Base interactions energy: -45.918
where: short stacking energy: -19.348
Base-Backbone interact. energy: -0.237
local terms energy: -41.993622
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -7.825
flat angles C4'-P-C4' energy: -9.528
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -4.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -74.964128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.964128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.964128 (E_RNA)
where:
Base-Base interactions energy: -42.263
where: short stacking energy: -24.586
Base-Backbone interact. energy: -0.534
local terms energy: -32.166776
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -6.977
flat angles C4'-P-C4' energy: -8.760
flat angles P-C4'-P energy: 1.517
tors. eta vs tors. theta energy: -7.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -73.695942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.695942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.695942 (E_RNA)
where:
Base-Base interactions energy: -42.619
where: short stacking energy: -18.737
Base-Backbone interact. energy: 0.074
local terms energy: -31.151339
where:
bonds (distance) C4'-P energy: -8.605
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -9.151
flat angles P-C4'-P energy: -1.611
tors. eta vs tors. theta energy: 0.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -63.638379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.638379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.638379 (E_RNA)
where:
Base-Base interactions energy: -19.108
where: short stacking energy: -19.108
Base-Backbone interact. energy: -0.145
local terms energy: -44.385520
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -10.603
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -66.185908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.185908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.185908 (E_RNA)
where:
Base-Base interactions energy: -23.391
where: short stacking energy: -23.391
Base-Backbone interact. energy: -0.005
local terms energy: -42.790731
where:
bonds (distance) C4'-P energy: -9.176
bonds (distance) P-C4' energy: -10.288
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -4.711
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: 8, replica: 7
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -57.744081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.744081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.744081 (E_RNA)
where:
Base-Base interactions energy: -15.212
where: short stacking energy: -15.212
Base-Backbone interact. energy: -0.043
local terms energy: -42.489397
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -10.379
flat angles C4'-P-C4' energy: -8.896
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -0.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -50.839735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.839735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.839735 (E_RNA)
where:
Base-Base interactions energy: -25.810
where: short stacking energy: -14.610
Base-Backbone interact. energy: -0.064
local terms energy: -24.965755
where:
bonds (distance) C4'-P energy: -6.365
bonds (distance) P-C4' energy: -7.259
flat angles C4'-P-C4' energy: -9.510
flat angles P-C4'-P energy: -0.444
tors. eta vs tors. theta energy: -1.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -57.939318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.939318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.939318 (E_RNA)
where:
Base-Base interactions energy: -28.297
where: short stacking energy: -15.896
Base-Backbone interact. energy: -0.065
local terms energy: -29.577135
where:
bonds (distance) C4'-P energy: -5.250
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -10.447
flat angles P-C4'-P energy: -0.890
tors. eta vs tors. theta energy: -0.373
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: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -128.082367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.082367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.082367 (E_RNA)
where:
Base-Base interactions energy: -81.302
where: short stacking energy: -33.379
Base-Backbone interact. energy: -0.265
local terms energy: -46.514604
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -8.016
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -7.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -121.868183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.868183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.868183 (E_RNA)
where:
Base-Base interactions energy: -76.068
where: short stacking energy: -31.096
Base-Backbone interact. energy: -0.027
local terms energy: -45.773927
where:
bonds (distance) C4'-P energy: -6.546
bonds (distance) P-C4' energy: -10.496
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -5.922
tors. eta vs tors. theta energy: -9.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -91.181193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.181193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.181193 (E_RNA)
where:
Base-Base interactions energy: -46.396
where: short stacking energy: -30.522
Base-Backbone interact. energy: -0.060
local terms energy: -44.725656
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -6.312
flat angles C4'-P-C4' energy: -10.629
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: -8.423
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: 10
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -72.192856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.192856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.192856 (E_RNA)
where:
Base-Base interactions energy: -31.052
where: short stacking energy: -29.065
Base-Backbone interact. energy: -0.015
local terms energy: -41.125883
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -8.517
flat angles P-C4'-P energy: -6.493
tors. eta vs tors. theta energy: -4.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -68.876968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.876968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.876968 (E_RNA)
where:
Base-Base interactions energy: -28.155
where: short stacking energy: -21.532
Base-Backbone interact. energy: -0.032
local terms energy: -40.690060
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -9.344
flat angles P-C4'-P energy: -5.842
tors. eta vs tors. theta energy: -2.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -73.445678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.445678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.445678 (E_RNA)
where:
Base-Base interactions energy: -19.114
where: short stacking energy: -18.990
Base-Backbone interact. energy: -0.000
local terms energy: -54.331133
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -10.715
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -8.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -70.062933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.062933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.062933 (E_RNA)
where:
Base-Base interactions energy: -26.239
where: short stacking energy: -22.797
Base-Backbone interact. energy: -0.010
local terms energy: -43.814341
where:
bonds (distance) C4'-P energy: -9.866
bonds (distance) P-C4' energy: -8.386
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -8.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -56.702998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.702998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.702998 (E_RNA)
where:
Base-Base interactions energy: -21.017
where: short stacking energy: -20.191
Base-Backbone interact. energy: 0.129
local terms energy: -35.814353
where:
bonds (distance) C4'-P energy: -8.902
bonds (distance) P-C4' energy: -9.640
flat angles C4'-P-C4' energy: -7.685
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -1.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -52.458242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.458242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.458242 (E_RNA)
where:
Base-Base interactions energy: -10.960
where: short stacking energy: -10.960
Base-Backbone interact. energy: -0.116
local terms energy: -41.381893
where:
bonds (distance) C4'-P energy: -9.520
bonds (distance) P-C4' energy: -9.280
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -3.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -55.587045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.587045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.587045 (E_RNA)
where:
Base-Base interactions energy: -31.240
where: short stacking energy: -22.301
Base-Backbone interact. energy: -0.405
local terms energy: -23.941840
where:
bonds (distance) C4'-P energy: -7.184
bonds (distance) P-C4' energy: -8.052
flat angles C4'-P-C4' energy: -3.784
flat angles P-C4'-P energy: -2.584
tors. eta vs tors. theta energy: -2.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -127.620655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.620655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.620655 (E_RNA)
where:
Base-Base interactions energy: -80.165
where: short stacking energy: -27.439
Base-Backbone interact. energy: -0.032
local terms energy: -47.423503
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -11.171
flat angles C4'-P-C4' energy: -10.438
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -6.950
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: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -125.122118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.122118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.122118 (E_RNA)
where:
Base-Base interactions energy: -79.345
where: short stacking energy: -30.855
Base-Backbone interact. energy: -1.650
local terms energy: -44.127713
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -9.649
flat angles P-C4'-P energy: -5.046
tors. eta vs tors. theta energy: -6.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -85.350583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.350583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.350583 (E_RNA)
where:
Base-Base interactions energy: -40.582
where: short stacking energy: -18.566
Base-Backbone interact. energy: -0.009
local terms energy: -44.760359
where:
bonds (distance) C4'-P energy: -11.265
bonds (distance) P-C4' energy: -11.814
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -3.005
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: 10
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -69.199808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.199808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.199808 (E_RNA)
where:
Base-Base interactions energy: -21.549
where: short stacking energy: -21.549
Base-Backbone interact. energy: -0.193
local terms energy: -47.457813
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -9.986
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -4.541
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: 5
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -80.009659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.009659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.009659 (E_RNA)
where:
Base-Base interactions energy: -42.944
where: short stacking energy: -10.371
Base-Backbone interact. energy: -0.529
local terms energy: -36.535975
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -9.558
flat angles C4'-P-C4' energy: -8.619
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -0.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -68.257574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.257574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.257574 (E_RNA)
where:
Base-Base interactions energy: -29.934
where: short stacking energy: -28.145
Base-Backbone interact. energy: -0.003
local terms energy: -38.320455
where:
bonds (distance) C4'-P energy: -6.306
bonds (distance) P-C4' energy: -10.048
flat angles C4'-P-C4' energy: -8.553
flat angles P-C4'-P energy: -5.077
tors. eta vs tors. theta energy: -8.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -63.260145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.260145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.260145 (E_RNA)
where:
Base-Base interactions energy: -22.751
where: short stacking energy: -20.357
Base-Backbone interact. energy: -0.014
local terms energy: -40.494987
where:
bonds (distance) C4'-P energy: -9.974
bonds (distance) P-C4' energy: -10.235
flat angles C4'-P-C4' energy: -8.314
flat angles P-C4'-P energy: -8.818
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: 8, replica: 4
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -75.970933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.970933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.970933 (E_RNA)
where:
Base-Base interactions energy: -36.673
where: short stacking energy: -18.942
Base-Backbone interact. energy: -0.099
local terms energy: -39.199657
where:
bonds (distance) C4'-P energy: -8.407
bonds (distance) P-C4' energy: -10.605
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -5.300
tors. eta vs tors. theta energy: -3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -58.771902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.771902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.771902 (E_RNA)
where:
Base-Base interactions energy: -20.507
where: short stacking energy: -20.507
Base-Backbone interact. energy: -0.030
local terms energy: -38.235176
where:
bonds (distance) C4'-P energy: -9.626
bonds (distance) P-C4' energy: -8.721
flat angles C4'-P-C4' energy: -6.886
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: -7.246
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: 7
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -58.082249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.082249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.082249 (E_RNA)
where:
Base-Base interactions energy: -16.340
where: short stacking energy: -15.423
Base-Backbone interact. energy: -0.010
local terms energy: -41.732922
where:
bonds (distance) C4'-P energy: -9.739
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -7.508
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -5.250
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: 8
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -126.942087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.942087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.942087 (E_RNA)
where:
Base-Base interactions energy: -73.733
where: short stacking energy: -30.077
Base-Backbone interact. energy: -0.006
local terms energy: -53.203265
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -4.498
tors. eta vs tors. theta energy: -13.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -134.063681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.063681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.063681 (E_RNA)
where:
Base-Base interactions energy: -85.884
where: short stacking energy: -32.045
Base-Backbone interact. energy: 0.532
local terms energy: -48.711286
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -10.323
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -8.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -80.303784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.303784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.303784 (E_RNA)
where:
Base-Base interactions energy: -34.118
where: short stacking energy: -22.592
Base-Backbone interact. energy: -0.067
local terms energy: -46.118273
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -9.248
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -3.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -85.830230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.830230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.830230 (E_RNA)
where:
Base-Base interactions energy: -40.509
where: short stacking energy: -36.272
Base-Backbone interact. energy: -0.009
local terms energy: -45.312602
where:
bonds (distance) C4'-P energy: -8.207
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -10.253
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -8.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -93.578487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.578487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.578487 (E_RNA)
where:
Base-Base interactions energy: -50.534
where: short stacking energy: -27.991
Base-Backbone interact. energy: -0.042
local terms energy: -43.002779
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -8.743
flat angles P-C4'-P energy: -7.381
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: 6, replica: 3
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -73.516734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.516734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.516734 (E_RNA)
where:
Base-Base interactions energy: -27.756
where: short stacking energy: -27.756
Base-Backbone interact. energy: -0.000
local terms energy: -45.760566
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -8.048
flat angles C4'-P-C4' energy: -10.533
flat angles P-C4'-P energy: -5.346
tors. eta vs tors. theta energy: -9.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -66.386942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.386942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.386942 (E_RNA)
where:
Base-Base interactions energy: -28.387
where: short stacking energy: -21.754
Base-Backbone interact. energy: -0.489
local terms energy: -37.510346
where:
bonds (distance) C4'-P energy: -8.153
bonds (distance) P-C4' energy: -10.121
flat angles C4'-P-C4' energy: -9.458
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -2.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -67.544594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.544594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.544594 (E_RNA)
where:
Base-Base interactions energy: -28.269
where: short stacking energy: -17.450
Base-Backbone interact. energy: -0.105
local terms energy: -39.170682
where:
bonds (distance) C4'-P energy: -7.735
bonds (distance) P-C4' energy: -9.483
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -4.810
tors. eta vs tors. theta energy: -5.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -60.291064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.291064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.291064 (E_RNA)
where:
Base-Base interactions energy: -27.730
where: short stacking energy: -25.466
Base-Backbone interact. energy: -0.115
local terms energy: -32.445648
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -9.935
flat angles C4'-P-C4' energy: -5.301
flat angles P-C4'-P energy: -5.810
tors. eta vs tors. theta energy: 0.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -52.439599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.439599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.439599 (E_RNA)
where:
Base-Base interactions energy: -9.392
where: short stacking energy: -9.392
Base-Backbone interact. energy: -0.107
local terms energy: -42.941108
where:
bonds (distance) C4'-P energy: -9.014
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -5.901
tors. eta vs tors. theta energy: -2.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -134.032908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.032908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.032908 (E_RNA)
where:
Base-Base interactions energy: -81.789
where: short stacking energy: -34.461
Base-Backbone interact. energy: -0.599
local terms energy: -51.645720
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -8.677
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: 2, replica: 8
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -126.046699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.046699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.046699 (E_RNA)
where:
Base-Base interactions energy: -73.735
where: short stacking energy: -40.970
Base-Backbone interact. energy: -0.014
local terms energy: -52.297456
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -8.171
flat angles C4'-P-C4' energy: -9.500
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -12.614
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: 10
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -67.542403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.542403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.542403 (E_RNA)
where:
Base-Base interactions energy: -27.950
where: short stacking energy: -21.438
Base-Backbone interact. energy: -0.120
local terms energy: -39.472391
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -8.648
flat angles C4'-P-C4' energy: -10.336
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -1.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -79.221765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.221765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.221765 (E_RNA)
where:
Base-Base interactions energy: -39.573
where: short stacking energy: -19.146
Base-Backbone interact. energy: -0.030
local terms energy: -39.618652
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -6.882
flat angles C4'-P-C4' energy: -9.357
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -4.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -88.126220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.126220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.126220 (E_RNA)
where:
Base-Base interactions energy: -37.421
where: short stacking energy: -37.333
Base-Backbone interact. energy: -0.000
local terms energy: -50.705089
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -9.861
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -10.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -82.699493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.699493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.699493 (E_RNA)
where:
Base-Base interactions energy: -40.976
where: short stacking energy: -17.672
Base-Backbone interact. energy: 1.106
local terms energy: -42.829478
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -11.268
flat angles C4'-P-C4' energy: -10.517
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -3.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -82.914403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.914403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.914403 (E_RNA)
where:
Base-Base interactions energy: -52.133
where: short stacking energy: -23.698
Base-Backbone interact. energy: -0.289
local terms energy: -30.491866
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -9.752
flat angles C4'-P-C4' energy: -5.633
flat angles P-C4'-P energy: -2.923
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: 8, replica: 1
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -54.591021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.591021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.591021 (E_RNA)
where:
Base-Base interactions energy: -20.222
where: short stacking energy: -8.765
Base-Backbone interact. energy: 0.010
local terms energy: -34.379016
where:
bonds (distance) C4'-P energy: -8.910
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -8.830
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: 2.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -48.793055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.793055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.793055 (E_RNA)
where:
Base-Base interactions energy: -19.085
where: short stacking energy: -14.116
Base-Backbone interact. energy: -0.145
local terms energy: -29.562811
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -6.752
flat angles C4'-P-C4' energy: -9.517
flat angles P-C4'-P energy: -1.477
tors. eta vs tors. theta energy: 0.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -53.249512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.249512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.249512 (E_RNA)
where:
Base-Base interactions energy: -20.444
where: short stacking energy: -20.444
Base-Backbone interact. energy: -0.006
local terms energy: -32.799731
where:
bonds (distance) C4'-P energy: -6.266
bonds (distance) P-C4' energy: -10.973
flat angles C4'-P-C4' energy: -9.058
flat angles P-C4'-P energy: -0.784
tors. eta vs tors. theta energy: -5.719
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: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -138.525539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.525539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.525539 (E_RNA)
where:
Base-Base interactions energy: -90.198
where: short stacking energy: -36.941
Base-Backbone interact. energy: -0.879
local terms energy: -47.449138
where:
bonds (distance) C4'-P energy: -7.486
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -6.484
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: 2, replica: 10
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -89.641951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.641951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.641951 (E_RNA)
where:
Base-Base interactions energy: -42.989
where: short stacking energy: -30.952
Base-Backbone interact. energy: -0.817
local terms energy: -45.836132
where:
bonds (distance) C4'-P energy: -8.621
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -10.322
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -6.525
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: 8
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -115.362537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.362537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.362537 (E_RNA)
where:
Base-Base interactions energy: -66.303
where: short stacking energy: -30.517
Base-Backbone interact. energy: -0.098
local terms energy: -48.961804
where:
bonds (distance) C4'-P energy: -10.125
bonds (distance) P-C4' energy: -9.161
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -9.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -72.363480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.363480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.363480 (E_RNA)
where:
Base-Base interactions energy: -29.030
where: short stacking energy: -29.030
Base-Backbone interact. energy: -0.000
local terms energy: -43.333531
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -10.833
flat angles C4'-P-C4' energy: -7.259
flat angles P-C4'-P energy: -5.388
tors. eta vs tors. theta energy: -7.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -80.311687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.311687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.311687 (E_RNA)
where:
Base-Base interactions energy: -35.690
where: short stacking energy: -24.134
Base-Backbone interact. energy: -0.017
local terms energy: -44.604267
where:
bonds (distance) C4'-P energy: -7.731
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -9.141
flat angles P-C4'-P energy: -8.545
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: 6, replica: 9
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -90.336103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.336103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.336103 (E_RNA)
where:
Base-Base interactions energy: -56.269
where: short stacking energy: -13.793
Base-Backbone interact. energy: -0.365
local terms energy: -33.702587
where:
bonds (distance) C4'-P energy: -7.138
bonds (distance) P-C4' energy: -10.158
flat angles C4'-P-C4' energy: -9.610
flat angles P-C4'-P energy: -4.870
tors. eta vs tors. theta energy: -1.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -67.419622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.419622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.419622 (E_RNA)
where:
Base-Base interactions energy: -30.638
where: short stacking energy: -20.753
Base-Backbone interact. energy: -0.009
local terms energy: -36.773215
where:
bonds (distance) C4'-P energy: -10.976
bonds (distance) P-C4' energy: -7.898
flat angles C4'-P-C4' energy: -9.892
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -1.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -67.812982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.812982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.812982 (E_RNA)
where:
Base-Base interactions energy: -26.385
where: short stacking energy: -17.113
Base-Backbone interact. energy: -0.757
local terms energy: -40.671559
where:
bonds (distance) C4'-P energy: -7.442
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: -3.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -52.373304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.373304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.373304 (E_RNA)
where:
Base-Base interactions energy: -23.129
where: short stacking energy: -10.281
Base-Backbone interact. energy: -0.278
local terms energy: -28.966103
where:
bonds (distance) C4'-P energy: -8.323
bonds (distance) P-C4' energy: -5.284
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -4.421
tors. eta vs tors. theta energy: -0.051
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: 4
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -57.858094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.858094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.858094 (E_RNA)
where:
Base-Base interactions energy: -13.804
where: short stacking energy: -6.188
Base-Backbone interact. energy: -0.061
local terms energy: -43.992240
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -9.891
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -3.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -137.692036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.692036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.692036 (E_RNA)
where:
Base-Base interactions energy: -85.089
where: short stacking energy: -32.219
Base-Backbone interact. energy: 0.732
local terms energy: -53.334258
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -9.213
flat angles C4'-P-C4' energy: -11.106
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -11.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -83.128984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.128984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.128984 (E_RNA)
where:
Base-Base interactions energy: -35.829
where: short stacking energy: -35.332
Base-Backbone interact. energy: -0.000
local terms energy: -47.299741
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -8.810
flat angles C4'-P-C4' energy: -10.653
flat angles P-C4'-P energy: -5.444
tors. eta vs tors. theta energy: -12.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -110.743243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.743243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.743243 (E_RNA)
where:
Base-Base interactions energy: -65.418
where: short stacking energy: -31.939
Base-Backbone interact. energy: -0.066
local terms energy: -45.259514
where:
bonds (distance) C4'-P energy: -8.762
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -9.499
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -6.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -72.906278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.906278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.906278 (E_RNA)
where:
Base-Base interactions energy: -27.697
where: short stacking energy: -27.697
Base-Backbone interact. energy: -0.066
local terms energy: -45.142658
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -4.088
tors. eta vs tors. theta energy: -7.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -71.042388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.042388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.042388 (E_RNA)
where:
Base-Base interactions energy: -34.977
where: short stacking energy: -25.380
Base-Backbone interact. energy: 0.868
local terms energy: -36.934055
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -7.688
flat angles C4'-P-C4' energy: -7.389
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -2.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -70.268926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.268926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.268926 (E_RNA)
where:
Base-Base interactions energy: -31.753
where: short stacking energy: -21.082
Base-Backbone interact. energy: -0.067
local terms energy: -38.449336
where:
bonds (distance) C4'-P energy: -9.324
bonds (distance) P-C4' energy: -11.002
flat angles C4'-P-C4' energy: -5.453
flat angles P-C4'-P energy: -6.697
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: 7, replica: 7
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -78.525642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.525642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.525642 (E_RNA)
where:
Base-Base interactions energy: -42.772
where: short stacking energy: -17.084
Base-Backbone interact. energy: -0.607
local terms energy: -35.147201
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -10.379
flat angles C4'-P-C4' energy: -3.230
flat angles P-C4'-P energy: -5.966
tors. eta vs tors. theta energy: -3.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -60.944839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.944839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.944839 (E_RNA)
where:
Base-Base interactions energy: -16.300
where: short stacking energy: -15.618
Base-Backbone interact. energy: -0.140
local terms energy: -44.505619
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -9.267
flat angles P-C4'-P energy: -9.406
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: 9, replica: 4
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -55.166389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.166389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.166389 (E_RNA)
where:
Base-Base interactions energy: -24.341
where: short stacking energy: -10.569
Base-Backbone interact. energy: -1.264
local terms energy: -29.560609
where:
bonds (distance) C4'-P energy: -5.972
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -7.031
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: 2.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -59.477495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.477495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.477495 (E_RNA)
where:
Base-Base interactions energy: -17.469
where: short stacking energy: -17.469
Base-Backbone interact. energy: -0.003
local terms energy: -42.004733
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -4.580
tors. eta vs tors. theta energy: -2.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -129.102284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.102284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.102284 (E_RNA)
where:
Base-Base interactions energy: -85.144
where: short stacking energy: -30.185
Base-Backbone interact. energy: -1.921
local terms energy: -42.036616
where:
bonds (distance) C4'-P energy: -8.505
bonds (distance) P-C4' energy: -8.144
flat angles C4'-P-C4' energy: -10.209
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -7.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -81.692772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.692772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.692772 (E_RNA)
where:
Base-Base interactions energy: -35.260
where: short stacking energy: -22.135
Base-Backbone interact. energy: -0.114
local terms energy: -46.319234
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -11.026
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -4.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -79.645103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.645103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.645103 (E_RNA)
where:
Base-Base interactions energy: -32.839
where: short stacking energy: -27.120
Base-Backbone interact. energy: -0.149
local terms energy: -46.656982
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -9.492
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -5.214
tors. eta vs tors. theta energy: -7.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -71.316086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.316086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.316086 (E_RNA)
where:
Base-Base interactions energy: -27.582
where: short stacking energy: -20.971
Base-Backbone interact. energy: -1.101
local terms energy: -42.633604
where:
bonds (distance) C4'-P energy: -6.754
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -5.787
tors. eta vs tors. theta energy: -2.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -85.546389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.546389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.546389 (E_RNA)
where:
Base-Base interactions energy: -47.207
where: short stacking energy: -11.521
Base-Backbone interact. energy: -0.296
local terms energy: -38.043239
where:
bonds (distance) C4'-P energy: -10.016
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -10.567
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: 2.378
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: 7
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -73.847260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.847260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.847260 (E_RNA)
where:
Base-Base interactions energy: -42.638
where: short stacking energy: -24.012
Base-Backbone interact. energy: -1.359
local terms energy: -29.850059
where:
bonds (distance) C4'-P energy: -7.096
bonds (distance) P-C4' energy: -8.038
flat angles C4'-P-C4' energy: -8.368
flat angles P-C4'-P energy: -4.564
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: 7, replica: 9
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -63.923176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.923176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.923176 (E_RNA)
where:
Base-Base interactions energy: -23.923
where: short stacking energy: -22.962
Base-Backbone interact. energy: -0.002
local terms energy: -39.997848
where:
bonds (distance) C4'-P energy: -8.207
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -7.304
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -4.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -59.485588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.485588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.485588 (E_RNA)
where:
Base-Base interactions energy: -25.958
where: short stacking energy: -11.674
Base-Backbone interact. energy: 1.141
local terms energy: -34.667716
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -11.259
flat angles P-C4'-P energy: -1.338
tors. eta vs tors. theta energy: 4.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -59.226677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.226677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.226677 (E_RNA)
where:
Base-Base interactions energy: -34.366
where: short stacking energy: -16.506
Base-Backbone interact. energy: -0.089
local terms energy: -24.771084
where:
bonds (distance) C4'-P energy: -8.383
bonds (distance) P-C4' energy: -10.857
flat angles C4'-P-C4' energy: -6.439
flat angles P-C4'-P energy: -2.661
tors. eta vs tors. theta energy: 3.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -49.373250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.373250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.373250 (E_RNA)
where:
Base-Base interactions energy: -14.770
where: short stacking energy: -10.026
Base-Backbone interact. energy: -0.016
local terms energy: -34.587522
where:
bonds (distance) C4'-P energy: -8.903
bonds (distance) P-C4' energy: -10.679
flat angles C4'-P-C4' energy: -10.080
flat angles P-C4'-P energy: -4.479
tors. eta vs tors. theta energy: -0.448
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: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -124.436179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.436179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.436179 (E_RNA)
where:
Base-Base interactions energy: -76.541
where: short stacking energy: -30.604
Base-Backbone interact. energy: -0.307
local terms energy: -47.588153
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -10.559
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -4.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -106.356407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.356407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.356407 (E_RNA)
where:
Base-Base interactions energy: -51.857
where: short stacking energy: -42.630
Base-Backbone interact. energy: -0.000
local terms energy: -54.498803
where:
bonds (distance) C4'-P energy: -9.280
bonds (distance) P-C4' energy: -10.218
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -14.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -86.389072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.389072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.389072 (E_RNA)
where:
Base-Base interactions energy: -44.233
where: short stacking energy: -30.029
Base-Backbone interact. energy: 0.294
local terms energy: -42.450054
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -11.391
flat angles C4'-P-C4' energy: -9.189
flat angles P-C4'-P energy: -5.551
tors. eta vs tors. theta energy: -3.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -80.215133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.215133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.215133 (E_RNA)
where:
Base-Base interactions energy: -40.036
where: short stacking energy: -23.032
Base-Backbone interact. energy: -0.039
local terms energy: -40.140394
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -10.726
flat angles P-C4'-P energy: -2.272
tors. eta vs tors. theta energy: -2.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -68.197905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.197905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.197905 (E_RNA)
where:
Base-Base interactions energy: -33.637
where: short stacking energy: -15.808
Base-Backbone interact. energy: -0.111
local terms energy: -34.449677
where:
bonds (distance) C4'-P energy: -9.521
bonds (distance) P-C4' energy: -7.772
flat angles C4'-P-C4' energy: -10.433
flat angles P-C4'-P energy: -5.514
tors. eta vs tors. theta energy: -1.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -65.970396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.970396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.970396 (E_RNA)
where:
Base-Base interactions energy: -21.955
where: short stacking energy: -20.270
Base-Backbone interact. energy: -0.218
local terms energy: -43.798034
where:
bonds (distance) C4'-P energy: -9.449
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -2.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -66.309880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.309880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.309880 (E_RNA)
where:
Base-Base interactions energy: -34.856
where: short stacking energy: -20.413
Base-Backbone interact. energy: 1.692
local terms energy: -33.146100
where:
bonds (distance) C4'-P energy: -7.188
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -6.466
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: 0.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -62.595210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.595210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.595210 (E_RNA)
where:
Base-Base interactions energy: -27.584
where: short stacking energy: -24.609
Base-Backbone interact. energy: -0.796
local terms energy: -34.215375
where:
bonds (distance) C4'-P energy: -10.194
bonds (distance) P-C4' energy: -10.638
flat angles C4'-P-C4' energy: -8.320
flat angles P-C4'-P energy: -5.069
tors. eta vs tors. theta energy: 0.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -56.125080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.125080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.125080 (E_RNA)
where:
Base-Base interactions energy: -19.549
where: short stacking energy: -13.466
Base-Backbone interact. energy: -0.022
local terms energy: -36.554312
where:
bonds (distance) C4'-P energy: -9.338
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -6.807
flat angles P-C4'-P energy: -6.198
tors. eta vs tors. theta energy: -2.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -53.925112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.925112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.925112 (E_RNA)
where:
Base-Base interactions energy: -20.256
where: short stacking energy: -11.411
Base-Backbone interact. energy: -0.747
local terms energy: -32.922700
where:
bonds (distance) C4'-P energy: -6.816
bonds (distance) P-C4' energy: -9.908
flat angles C4'-P-C4' energy: -10.321
flat angles P-C4'-P energy: -5.520
tors. eta vs tors. theta energy: -0.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -127.551745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.551745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.551745 (E_RNA)
where:
Base-Base interactions energy: -77.776
where: short stacking energy: -32.833
Base-Backbone interact. energy: -0.294
local terms energy: -49.481748
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -6.495
tors. eta vs tors. theta energy: -6.789
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: 8
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -101.395107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.395107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.395107 (E_RNA)
where:
Base-Base interactions energy: -58.978
where: short stacking energy: -32.294
Base-Backbone interact. energy: -0.171
local terms energy: -42.246293
where:
bonds (distance) C4'-P energy: -9.322
bonds (distance) P-C4' energy: -11.313
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -5.322
tors. eta vs tors. theta energy: -5.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -86.660157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.660157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.660157 (E_RNA)
where:
Base-Base interactions energy: -40.355
where: short stacking energy: -21.677
Base-Backbone interact. energy: -0.111
local terms energy: -46.194432
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -2.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -72.069023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.069023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.069023 (E_RNA)
where:
Base-Base interactions energy: -30.907
where: short stacking energy: -19.732
Base-Backbone interact. energy: -0.026
local terms energy: -41.136564
where:
bonds (distance) C4'-P energy: -8.177
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -8.466
flat angles P-C4'-P energy: -8.124
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: 5, replica: 10
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -68.119579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.119579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.119579 (E_RNA)
where:
Base-Base interactions energy: -25.054
where: short stacking energy: -24.840
Base-Backbone interact. energy: -1.245
local terms energy: -41.820648
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -11.457
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -3.870
tors. eta vs tors. theta energy: -4.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -62.453162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.453162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.453162 (E_RNA)
where:
Base-Base interactions energy: -20.407
where: short stacking energy: -20.407
Base-Backbone interact. energy: -0.178
local terms energy: -41.867522
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -7.205
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: 7, replica: 7
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -77.145640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.145640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.145640 (E_RNA)
where:
Base-Base interactions energy: -28.025
where: short stacking energy: -18.257
Base-Backbone interact. energy: -0.068
local terms energy: -49.052635
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -9.700
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -7.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -74.579372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.579372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.579372 (E_RNA)
where:
Base-Base interactions energy: -39.915
where: short stacking energy: -16.245
Base-Backbone interact. energy: 2.007
local terms energy: -36.671497
where:
bonds (distance) C4'-P energy: -8.455
bonds (distance) P-C4' energy: -9.612
flat angles C4'-P-C4' energy: -6.022
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -5.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -62.106688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.106688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.106688 (E_RNA)
where:
Base-Base interactions energy: -23.421
where: short stacking energy: -15.281
Base-Backbone interact. energy: -0.071
local terms energy: -38.615090
where:
bonds (distance) C4'-P energy: -9.290
bonds (distance) P-C4' energy: -10.641
flat angles C4'-P-C4' energy: -9.791
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -2.616
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: 5
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -56.118789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.118789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.118789 (E_RNA)
where:
Base-Base interactions energy: -20.630
where: short stacking energy: -20.630
Base-Backbone interact. energy: -0.111
local terms energy: -35.377783
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -6.278
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -2.694
tors. eta vs tors. theta energy: -4.017
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: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -126.878710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.878710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.878710 (E_RNA)
where:
Base-Base interactions energy: -77.619
where: short stacking energy: -28.397
Base-Backbone interact. energy: -0.880
local terms energy: -48.379434
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -11.143
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -8.777
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: 8
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -103.644240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.644240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.644240 (E_RNA)
where:
Base-Base interactions energy: -65.024
where: short stacking energy: -29.011
Base-Backbone interact. energy: -0.002
local terms energy: -38.618031
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -7.298
flat angles P-C4'-P energy: -5.564
tors. eta vs tors. theta energy: -4.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -78.556181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.556181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.556181 (E_RNA)
where:
Base-Base interactions energy: -44.530
where: short stacking energy: -32.547
Base-Backbone interact. energy: -0.014
local terms energy: -34.012479
where:
bonds (distance) C4'-P energy: -8.462
bonds (distance) P-C4' energy: -8.625
flat angles C4'-P-C4' energy: -7.370
flat angles P-C4'-P energy: -5.146
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: 4, replica: 6
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -85.504111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.504111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.504111 (E_RNA)
where:
Base-Base interactions energy: -39.181
where: short stacking energy: -26.344
Base-Backbone interact. energy: 0.168
local terms energy: -46.491260
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -10.573
flat angles C4'-P-C4' energy: -10.448
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -7.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -103.824473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.824473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.824473 (E_RNA)
where:
Base-Base interactions energy: -55.222
where: short stacking energy: -42.120
Base-Backbone interact. energy: -0.002
local terms energy: -48.599892
where:
bonds (distance) C4'-P energy: -7.702
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -8.683
flat angles P-C4'-P energy: -6.272
tors. eta vs tors. theta energy: -12.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -89.952793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.952793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.952793 (E_RNA)
where:
Base-Base interactions energy: -47.507
where: short stacking energy: -16.331
Base-Backbone interact. energy: -0.298
local terms energy: -42.148620
where:
bonds (distance) C4'-P energy: -10.874
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -10.437
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -1.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -68.016432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.016432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.016432 (E_RNA)
where:
Base-Base interactions energy: -26.625
where: short stacking energy: -24.704
Base-Backbone interact. energy: -0.002
local terms energy: -41.389779
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -3.828
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -5.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -72.094813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.094813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.094813 (E_RNA)
where:
Base-Base interactions energy: -36.260
where: short stacking energy: -22.040
Base-Backbone interact. energy: -0.250
local terms energy: -35.584479
where:
bonds (distance) C4'-P energy: -7.718
bonds (distance) P-C4' energy: -10.595
flat angles C4'-P-C4' energy: -9.783
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -0.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -55.202464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.202464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.202464 (E_RNA)
where:
Base-Base interactions energy: -22.056
where: short stacking energy: -12.521
Base-Backbone interact. energy: -0.051
local terms energy: -33.095762
where:
bonds (distance) C4'-P energy: -7.443
bonds (distance) P-C4' energy: -8.840
flat angles C4'-P-C4' energy: -10.671
flat angles P-C4'-P energy: -4.525
tors. eta vs tors. theta energy: -1.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -55.686602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.686602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.686602 (E_RNA)
where:
Base-Base interactions energy: -23.094
where: short stacking energy: -11.994
Base-Backbone interact. energy: -0.352
local terms energy: -32.240494
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -8.425
flat angles C4'-P-C4' energy: -8.594
flat angles P-C4'-P energy: -6.787
tors. eta vs tors. theta energy: 2.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -130.313624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.313624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.313624 (E_RNA)
where:
Base-Base interactions energy: -80.893
where: short stacking energy: -33.984
Base-Backbone interact. energy: 1.081
local terms energy: -50.502555
where:
bonds (distance) C4'-P energy: -10.576
bonds (distance) P-C4' energy: -10.412
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -11.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -91.722960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.722960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.722960 (E_RNA)
where:
Base-Base interactions energy: -41.845
where: short stacking energy: -29.833
Base-Backbone interact. energy: -0.096
local terms energy: -49.782058
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -12.731
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -5.029
tors. eta vs tors. theta energy: -8.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -81.695290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.695290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.695290 (E_RNA)
where:
Base-Base interactions energy: -35.962
where: short stacking energy: -22.730
Base-Backbone interact. energy: -0.324
local terms energy: -45.409204
where:
bonds (distance) C4'-P energy: -9.586
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -4.376
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: 4
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -89.452672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.452672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.452672 (E_RNA)
where:
Base-Base interactions energy: -41.655
where: short stacking energy: -27.857
Base-Backbone interact. energy: -0.106
local terms energy: -47.691226
where:
bonds (distance) C4'-P energy: -9.733
bonds (distance) P-C4' energy: -9.709
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: -8.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -69.297826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.297826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.297826 (E_RNA)
where:
Base-Base interactions energy: -28.695
where: short stacking energy: -25.529
Base-Backbone interact. energy: -0.101
local terms energy: -40.501841
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -9.577
flat angles C4'-P-C4' energy: -9.166
flat angles P-C4'-P energy: -3.528
tors. eta vs tors. theta energy: -6.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -66.365143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.365143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.365143 (E_RNA)
where:
Base-Base interactions energy: -29.443
where: short stacking energy: -19.603
Base-Backbone interact. energy: -0.047
local terms energy: -36.875517
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -7.688
flat angles P-C4'-P energy: -5.735
tors. eta vs tors. theta energy: -1.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -59.850342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.850342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.850342 (E_RNA)
where:
Base-Base interactions energy: -19.213
where: short stacking energy: -13.002
Base-Backbone interact. energy: -0.134
local terms energy: -40.502996
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -5.476
tors. eta vs tors. theta energy: -0.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -57.502810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.502810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.502810 (E_RNA)
where:
Base-Base interactions energy: -16.356
where: short stacking energy: -16.356
Base-Backbone interact. energy: -0.133
local terms energy: -41.013080
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -8.701
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -0.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -64.134967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.134967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.134967 (E_RNA)
where:
Base-Base interactions energy: -28.510
where: short stacking energy: -26.477
Base-Backbone interact. energy: -0.092
local terms energy: -35.533468
where:
bonds (distance) C4'-P energy: -8.939
bonds (distance) P-C4' energy: -8.974
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -1.876
tors. eta vs tors. theta energy: -5.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -49.770776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.770776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.770776 (E_RNA)
where:
Base-Base interactions energy: -10.593
where: short stacking energy: -10.593
Base-Backbone interact. energy: -0.285
local terms energy: -38.892404
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -9.692
flat angles C4'-P-C4' energy: -10.963
flat angles P-C4'-P energy: -9.139
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: 1, replica: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -128.471054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.471054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.471054 (E_RNA)
where:
Base-Base interactions energy: -83.955
where: short stacking energy: -29.286
Base-Backbone interact. energy: -0.723
local terms energy: -43.793406
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -9.044
flat angles C4'-P-C4' energy: -9.603
flat angles P-C4'-P energy: -5.615
tors. eta vs tors. theta energy: -7.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -110.322044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.322044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.322044 (E_RNA)
where:
Base-Base interactions energy: -61.328
where: short stacking energy: -22.670
Base-Backbone interact. energy: -0.145
local terms energy: -48.849836
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -9.046
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: -8.263
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: 4
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -104.854938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.854938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.854938 (E_RNA)
where:
Base-Base interactions energy: -63.966
where: short stacking energy: -26.185
Base-Backbone interact. energy: -0.128
local terms energy: -40.760883
where:
bonds (distance) C4'-P energy: -9.122
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -6.112
flat angles P-C4'-P energy: -9.861
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: 4, replica: 3
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -71.764189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.764189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.764189 (E_RNA)
where:
Base-Base interactions energy: -28.031
where: short stacking energy: -15.837
Base-Backbone interact. energy: 0.093
local terms energy: -43.826221
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -11.723
flat angles C4'-P-C4' energy: -10.200
flat angles P-C4'-P energy: -6.061
tors. eta vs tors. theta energy: -4.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -68.912860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.912860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.912860 (E_RNA)
where:
Base-Base interactions energy: -27.181
where: short stacking energy: -26.279
Base-Backbone interact. energy: -0.282
local terms energy: -41.449690
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -11.071
flat angles P-C4'-P energy: -6.331
tors. eta vs tors. theta energy: -0.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -78.339806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.339806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.339806 (E_RNA)
where:
Base-Base interactions energy: -43.786
where: short stacking energy: -21.573
Base-Backbone interact. energy: -0.278
local terms energy: -34.275633
where:
bonds (distance) C4'-P energy: -8.277
bonds (distance) P-C4' energy: -7.146
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -6.274
tors. eta vs tors. theta energy: -0.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -70.001531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.001531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.001531 (E_RNA)
where:
Base-Base interactions energy: -24.995
where: short stacking energy: -23.152
Base-Backbone interact. energy: -0.010
local terms energy: -44.997138
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -9.408
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -7.836
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: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -65.613460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.613460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.613460 (E_RNA)
where:
Base-Base interactions energy: -19.143
where: short stacking energy: -19.015
Base-Backbone interact. energy: -0.192
local terms energy: -46.278011
where:
bonds (distance) C4'-P energy: -8.004
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -5.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -54.254125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.254125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.254125 (E_RNA)
where:
Base-Base interactions energy: -16.256
where: short stacking energy: -16.251
Base-Backbone interact. energy: -0.129
local terms energy: -37.868664
where:
bonds (distance) C4'-P energy: -7.529
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -5.381
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: 10, replica: 7
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -50.227073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.227073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.227073 (E_RNA)
where:
Base-Base interactions energy: -14.214
where: short stacking energy: -10.380
Base-Backbone interact. energy: 2.117
local terms energy: -38.129980
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -4.632
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -0.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -129.950956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.950956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.950956 (E_RNA)
where:
Base-Base interactions energy: -84.703
where: short stacking energy: -36.683
Base-Backbone interact. energy: -0.127
local terms energy: -45.121688
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -7.628
flat angles P-C4'-P energy: -6.369
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: 2, replica: 8
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -130.908717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.908717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.908717 (E_RNA)
where:
Base-Base interactions energy: -80.276
where: short stacking energy: -31.855
Base-Backbone interact. energy: -0.033
local terms energy: -50.600038
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -10.031
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -5.298
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: 3, replica: 4
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -127.461998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.461998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.461998 (E_RNA)
where:
Base-Base interactions energy: -85.686
where: short stacking energy: -38.682
Base-Backbone interact. energy: -0.316
local terms energy: -41.460408
where:
bonds (distance) C4'-P energy: -5.770
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -9.077
flat angles P-C4'-P energy: -5.664
tors. eta vs tors. theta energy: -10.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -110.732705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.732705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.732705 (E_RNA)
where:
Base-Base interactions energy: -65.265
where: short stacking energy: -32.005
Base-Backbone interact. energy: -0.209
local terms energy: -45.259034
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -5.711
flat angles C4'-P-C4' energy: -9.181
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -10.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -82.029746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.029746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.029746 (E_RNA)
where:
Base-Base interactions energy: -37.867
where: short stacking energy: -27.257
Base-Backbone interact. energy: -0.033
local terms energy: -44.129501
where:
bonds (distance) C4'-P energy: -11.865
bonds (distance) P-C4' energy: -9.122
flat angles C4'-P-C4' energy: -10.735
flat angles P-C4'-P energy: -6.968
tors. eta vs tors. theta energy: -5.439
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: 435
Temperature: 1.150000
Total energy: -69.459022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.459022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.459022 (E_RNA)
where:
Base-Base interactions energy: -26.512
where: short stacking energy: -16.002
Base-Backbone interact. energy: -0.031
local terms energy: -42.915598
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -8.559
flat angles P-C4'-P energy: -7.991
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: 7, replica: 6
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -68.031069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.031069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.031069 (E_RNA)
where:
Base-Base interactions energy: -23.861
where: short stacking energy: -12.444
Base-Backbone interact. energy: -0.161
local terms energy: -44.008876
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -1.878
tors. eta vs tors. theta energy: -5.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -58.306216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.306216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.306216 (E_RNA)
where:
Base-Base interactions energy: -24.855
where: short stacking energy: -19.541
Base-Backbone interact. energy: -0.018
local terms energy: -33.432687
where:
bonds (distance) C4'-P energy: -6.444
bonds (distance) P-C4' energy: -10.214
flat angles C4'-P-C4' energy: -9.406
flat angles P-C4'-P energy: -6.038
tors. eta vs tors. theta energy: -1.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -61.165566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.165566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.165566 (E_RNA)
where:
Base-Base interactions energy: -26.967
where: short stacking energy: -8.707
Base-Backbone interact. energy: -0.025
local terms energy: -34.173665
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -10.788
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -2.315
tors. eta vs tors. theta energy: 1.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -56.207372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.207372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.207372 (E_RNA)
where:
Base-Base interactions energy: -20.765
where: short stacking energy: -19.578
Base-Backbone interact. energy: -0.042
local terms energy: -35.400435
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -10.057
flat angles C4'-P-C4' energy: -9.746
flat angles P-C4'-P energy: -4.104
tors. eta vs tors. theta energy: -0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -135.980398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.980398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.980398 (E_RNA)
where:
Base-Base interactions energy: -81.034
where: short stacking energy: -39.761
Base-Backbone interact. energy: -0.012
local terms energy: -54.933983
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -11.278
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -14.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -137.619317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.619317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.619317 (E_RNA)
where:
Base-Base interactions energy: -90.150
where: short stacking energy: -39.961
Base-Backbone interact. energy: -0.931
local terms energy: -46.537876
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -8.343
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -6.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -134.973393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.973393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.973393 (E_RNA)
where:
Base-Base interactions energy: -89.157
where: short stacking energy: -37.110
Base-Backbone interact. energy: -0.248
local terms energy: -45.569095
where:
bonds (distance) C4'-P energy: -9.104
bonds (distance) P-C4' energy: -10.196
flat angles C4'-P-C4' energy: -10.557
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -7.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -72.657013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.657013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.657013 (E_RNA)
where:
Base-Base interactions energy: -25.551
where: short stacking energy: -22.145
Base-Backbone interact. energy: -1.829
local terms energy: -45.277107
where:
bonds (distance) C4'-P energy: -11.125
bonds (distance) P-C4' energy: -9.978
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -4.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -72.218430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.218430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.218430 (E_RNA)
where:
Base-Base interactions energy: -34.936
where: short stacking energy: -18.197
Base-Backbone interact. energy: -0.304
local terms energy: -36.978055
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -9.964
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -6.642
tors. eta vs tors. theta energy: 3.005
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: 10
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -60.383318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.383318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.383318 (E_RNA)
where:
Base-Base interactions energy: -23.727
where: short stacking energy: -22.161
Base-Backbone interact. energy: 1.333
local terms energy: -37.989633
where:
bonds (distance) C4'-P energy: -7.588
bonds (distance) P-C4' energy: -7.967
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -7.029
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: 7, replica: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -62.540470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.540470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.540470 (E_RNA)
where:
Base-Base interactions energy: -20.513
where: short stacking energy: -19.863
Base-Backbone interact. energy: -0.110
local terms energy: -41.917073
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -11.057
flat angles C4'-P-C4' energy: -9.263
flat angles P-C4'-P energy: -6.399
tors. eta vs tors. theta energy: -4.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -70.443047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.443047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.443047 (E_RNA)
where:
Base-Base interactions energy: -30.882
where: short stacking energy: -12.742
Base-Backbone interact. energy: 2.529
local terms energy: -42.090150
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -11.311
flat angles C4'-P-C4' energy: -10.080
flat angles P-C4'-P energy: -5.288
tors. eta vs tors. theta energy: -3.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -60.459513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.459513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.459513 (E_RNA)
where:
Base-Base interactions energy: -31.028
where: short stacking energy: -17.363
Base-Backbone interact. energy: 0.083
local terms energy: -29.514837
where:
bonds (distance) C4'-P energy: -6.306
bonds (distance) P-C4' energy: -10.489
flat angles C4'-P-C4' energy: -8.328
flat angles P-C4'-P energy: -2.582
tors. eta vs tors. theta energy: -1.809
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: 10, replica: 1
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -65.530531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.530531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.530531 (E_RNA)
where:
Base-Base interactions energy: -30.402
where: short stacking energy: -20.416
Base-Backbone interact. energy: -0.111
local terms energy: -35.017428
where:
bonds (distance) C4'-P energy: -6.505
bonds (distance) P-C4' energy: -9.591
flat angles C4'-P-C4' energy: -10.305
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -0.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -137.185343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.185343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.185343 (E_RNA)
where:
Base-Base interactions energy: -85.951
where: short stacking energy: -38.157
Base-Backbone interact. energy: -0.057
local terms energy: -51.177439
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -10.968
flat angles P-C4'-P energy: -5.691
tors. eta vs tors. theta energy: -11.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -121.866520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.866520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.866520 (E_RNA)
where:
Base-Base interactions energy: -78.025
where: short stacking energy: -32.971
Base-Backbone interact. energy: 1.858
local terms energy: -45.699826
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -9.604
flat angles C4'-P-C4' energy: -8.124
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -8.100
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: 4
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -122.735534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.735534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.735534 (E_RNA)
where:
Base-Base interactions energy: -74.572
where: short stacking energy: -29.404
Base-Backbone interact. energy: -0.846
local terms energy: -47.317660
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -4.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -76.576353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.576353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.576353 (E_RNA)
where:
Base-Base interactions energy: -39.633
where: short stacking energy: -25.993
Base-Backbone interact. energy: 2.168
local terms energy: -39.111078
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -10.380
flat angles P-C4'-P energy: -6.434
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: 5, replica: 3
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -75.064414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.064414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.064414 (E_RNA)
where:
Base-Base interactions energy: -29.366
where: short stacking energy: -22.888
Base-Backbone interact. energy: -0.140
local terms energy: -45.558226
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -8.975
flat angles P-C4'-P energy: -7.499
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: 6, replica: 10
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -61.448949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.448949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.448949 (E_RNA)
where:
Base-Base interactions energy: -26.495
where: short stacking energy: -10.121
Base-Backbone interact. energy: -0.171
local terms energy: -34.783277
where:
bonds (distance) C4'-P energy: -9.275
bonds (distance) P-C4' energy: -10.977
flat angles C4'-P-C4' energy: -9.440
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: 0.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -69.944395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.944395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.944395 (E_RNA)
where:
Base-Base interactions energy: -30.019
where: short stacking energy: -23.362
Base-Backbone interact. energy: -0.004
local terms energy: -39.920972
where:
bonds (distance) C4'-P energy: -8.303
bonds (distance) P-C4' energy: -10.098
flat angles C4'-P-C4' energy: -7.763
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: -8.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -57.911374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.911374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.911374 (E_RNA)
where:
Base-Base interactions energy: -20.727
where: short stacking energy: -19.526
Base-Backbone interact. energy: -0.147
local terms energy: -37.037662
where:
bonds (distance) C4'-P energy: -6.832
bonds (distance) P-C4' energy: -7.866
flat angles C4'-P-C4' energy: -9.941
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -6.098
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: 6
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -55.977654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.977654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.977654 (E_RNA)
where:
Base-Base interactions energy: -19.744
where: short stacking energy: -15.883
Base-Backbone interact. energy: -0.592
local terms energy: -35.641121
where:
bonds (distance) C4'-P energy: -7.155
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -9.540
flat angles P-C4'-P energy: -4.833
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: 10, replica: 1
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -57.249435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.249435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.249435 (E_RNA)
where:
Base-Base interactions energy: -16.167
where: short stacking energy: -16.821
Base-Backbone interact. energy: -0.093
local terms energy: -40.989049
where:
bonds (distance) C4'-P energy: -10.065
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -5.451
tors. eta vs tors. theta energy: -2.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -129.842673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.842673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.842673 (E_RNA)
where:
Base-Base interactions energy: -78.767
where: short stacking energy: -36.040
Base-Backbone interact. energy: -0.687
local terms energy: -50.388482
where:
bonds (distance) C4'-P energy: -7.288
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -12.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -129.667792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.667792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.667792 (E_RNA)
where:
Base-Base interactions energy: -80.781
where: short stacking energy: -34.660
Base-Backbone interact. energy: -0.637
local terms energy: -48.249075
where:
bonds (distance) C4'-P energy: -8.736
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -6.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -121.569309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.569309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.569309 (E_RNA)
where:
Base-Base interactions energy: -78.154
where: short stacking energy: -28.833
Base-Backbone interact. energy: -0.372
local terms energy: -43.043598
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -4.537
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -7.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -85.161528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.161528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.161528 (E_RNA)
where:
Base-Base interactions energy: -41.837
where: short stacking energy: -19.672
Base-Backbone interact. energy: -0.083
local terms energy: -43.242226
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: 0.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -76.606468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.606468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.606468 (E_RNA)
where:
Base-Base interactions energy: -33.498
where: short stacking energy: -27.684
Base-Backbone interact. energy: 0.077
local terms energy: -43.186039
where:
bonds (distance) C4'-P energy: -7.097
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -9.866
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -5.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -69.234650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.234650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.234650 (E_RNA)
where:
Base-Base interactions energy: -21.581
where: short stacking energy: -21.581
Base-Backbone interact. energy: -0.152
local terms energy: -47.502170
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -6.320
tors. eta vs tors. theta energy: -5.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -57.480437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.480437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.480437 (E_RNA)
where:
Base-Base interactions energy: -18.075
where: short stacking energy: -17.949
Base-Backbone interact. energy: -0.102
local terms energy: -39.303523
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -10.722
flat angles C4'-P-C4' energy: -9.871
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: -1.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -62.113896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.113896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.113896 (E_RNA)
where:
Base-Base interactions energy: -26.120
where: short stacking energy: -18.903
Base-Backbone interact. energy: -0.029
local terms energy: -35.965369
where:
bonds (distance) C4'-P energy: -8.858
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -9.285
flat angles P-C4'-P energy: -5.493
tors. eta vs tors. theta energy: -1.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -57.888146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.888146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.888146 (E_RNA)
where:
Base-Base interactions energy: -32.539
where: short stacking energy: -9.597
Base-Backbone interact. energy: 0.358
local terms energy: -25.706936
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -11.652
flat angles C4'-P-C4' energy: -5.727
flat angles P-C4'-P energy: -1.223
tors. eta vs tors. theta energy: -0.546
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: 6
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -54.252682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.252682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.252682 (E_RNA)
where:
Base-Base interactions energy: -17.032
where: short stacking energy: -11.081
Base-Backbone interact. energy: -0.133
local terms energy: -37.087360
where:
bonds (distance) C4'-P energy: -8.902
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -9.395
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: 1.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -117.709049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.709049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.709049 (E_RNA)
where:
Base-Base interactions energy: -67.174
where: short stacking energy: -30.263
Base-Backbone interact. energy: -1.026
local terms energy: -49.509444
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -9.300
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -7.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -126.143903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.143903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.143903 (E_RNA)
where:
Base-Base interactions energy: -74.750
where: short stacking energy: -29.392
Base-Backbone interact. energy: -0.823
local terms energy: -50.570570
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -8.688
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -8.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -112.057911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.057911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.057911 (E_RNA)
where:
Base-Base interactions energy: -63.016
where: short stacking energy: -28.119
Base-Backbone interact. energy: -0.128
local terms energy: -48.913470
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -11.643
flat angles C4'-P-C4' energy: -11.526
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -9.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -90.335677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.335677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.335677 (E_RNA)
where:
Base-Base interactions energy: -48.917
where: short stacking energy: -23.635
Base-Backbone interact. energy: -0.129
local terms energy: -41.289868
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -8.352
flat angles C4'-P-C4' energy: -7.751
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -4.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -69.147574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.147574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.147574 (E_RNA)
where:
Base-Base interactions energy: -26.331
where: short stacking energy: -23.699
Base-Backbone interact. energy: 0.840
local terms energy: -43.655814
where:
bonds (distance) C4'-P energy: -10.992
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -7.743
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -4.574
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: 439
Temperature: 1.150000
Total energy: -78.005282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.005282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.005282 (E_RNA)
where:
Base-Base interactions energy: -44.469
where: short stacking energy: -17.933
Base-Backbone interact. energy: -0.629
local terms energy: -32.907072
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -8.355
flat angles C4'-P-C4' energy: -9.627
flat angles P-C4'-P energy: -2.224
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: 7, replica: 10
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -59.537290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.537290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.537290 (E_RNA)
where:
Base-Base interactions energy: -26.295
where: short stacking energy: -14.604
Base-Backbone interact. energy: 0.316
local terms energy: -33.558793
where:
bonds (distance) C4'-P energy: -5.726
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -8.925
flat angles P-C4'-P energy: -5.283
tors. eta vs tors. theta energy: 0.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -64.303124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.303124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.303124 (E_RNA)
where:
Base-Base interactions energy: -21.632
where: short stacking energy: -16.236
Base-Backbone interact. energy: -0.002
local terms energy: -42.669881
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -11.814
flat angles C4'-P-C4' energy: -8.808
flat angles P-C4'-P energy: -4.556
tors. eta vs tors. theta energy: -6.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -72.496774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.496774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.496774 (E_RNA)
where:
Base-Base interactions energy: -34.048
where: short stacking energy: -22.372
Base-Backbone interact. energy: -0.382
local terms energy: -38.066875
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -10.128
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -1.353
tors. eta vs tors. theta energy: -3.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -58.932086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.932086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.932086 (E_RNA)
where:
Base-Base interactions energy: -27.797
where: short stacking energy: -14.756
Base-Backbone interact. energy: -0.006
local terms energy: -31.129522
where:
bonds (distance) C4'-P energy: -9.470
bonds (distance) P-C4' energy: -7.753
flat angles C4'-P-C4' energy: -4.835
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -129.085905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.085905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.085905 (E_RNA)
where:
Base-Base interactions energy: -79.689
where: short stacking energy: -31.934
Base-Backbone interact. energy: -0.111
local terms energy: -49.285410
where:
bonds (distance) C4'-P energy: -9.143
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -6.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -106.265166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.265166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.265166 (E_RNA)
where:
Base-Base interactions energy: -62.436
where: short stacking energy: -30.657
Base-Backbone interact. energy: -0.317
local terms energy: -43.512180
where:
bonds (distance) C4'-P energy: -9.585
bonds (distance) P-C4' energy: -9.745
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -6.164
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: 3, replica: 2
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -108.703001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.703001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.703001 (E_RNA)
where:
Base-Base interactions energy: -69.499
where: short stacking energy: -26.445
Base-Backbone interact. energy: -0.196
local terms energy: -39.007544
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -9.610
flat angles P-C4'-P energy: -2.174
tors. eta vs tors. theta energy: -4.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -69.935713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.935713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.935713 (E_RNA)
where:
Base-Base interactions energy: -26.829
where: short stacking energy: -26.431
Base-Backbone interact. energy: -0.144
local terms energy: -42.963239
where:
bonds (distance) C4'-P energy: -6.328
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -8.911
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -5.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -83.809256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.809256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.809256 (E_RNA)
where:
Base-Base interactions energy: -47.076
where: short stacking energy: -18.865
Base-Backbone interact. energy: -0.185
local terms energy: -36.548593
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -9.594
flat angles C4'-P-C4' energy: -5.891
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -1.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -61.580940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.580940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.580940 (E_RNA)
where:
Base-Base interactions energy: -23.737
where: short stacking energy: -19.911
Base-Backbone interact. energy: -0.044
local terms energy: -37.800086
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -6.598
flat angles P-C4'-P energy: -5.243
tors. eta vs tors. theta energy: -2.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -68.204784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.204784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.204784 (E_RNA)
where:
Base-Base interactions energy: -25.326
where: short stacking energy: -19.137
Base-Backbone interact. energy: -0.051
local terms energy: -42.827749
where:
bonds (distance) C4'-P energy: -10.149
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -10.403
flat angles P-C4'-P energy: -5.030
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: 10
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -62.186781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.186781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.186781 (E_RNA)
where:
Base-Base interactions energy: -19.926
where: short stacking energy: -17.786
Base-Backbone interact. energy: -0.101
local terms energy: -42.159679
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -9.046
flat angles P-C4'-P energy: -5.187
tors. eta vs tors. theta energy: -5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -60.748089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.748089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.748089 (E_RNA)
where:
Base-Base interactions energy: -22.652
where: short stacking energy: -22.507
Base-Backbone interact. energy: -0.155
local terms energy: -37.941300
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -7.839
flat angles C4'-P-C4' energy: -3.155
flat angles P-C4'-P energy: -10.259
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: 10, replica: 1
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -50.758225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.758225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.758225 (E_RNA)
where:
Base-Base interactions energy: -17.955
where: short stacking energy: -17.955
Base-Backbone interact. energy: -0.089
local terms energy: -32.713417
where:
bonds (distance) C4'-P energy: -11.224
bonds (distance) P-C4' energy: -11.526
flat angles C4'-P-C4' energy: -1.795
flat angles P-C4'-P energy: -9.634
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: 1, replica: 4
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -135.491526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.491526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.491526 (E_RNA)
where:
Base-Base interactions energy: -84.071
where: short stacking energy: -34.424
Base-Backbone interact. energy: -1.941
local terms energy: -49.480039
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -9.899
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -6.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -108.091803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.091803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.091803 (E_RNA)
where:
Base-Base interactions energy: -61.855
where: short stacking energy: -37.931
Base-Backbone interact. energy: -0.030
local terms energy: -46.206558
where:
bonds (distance) C4'-P energy: -10.044
bonds (distance) P-C4' energy: -9.137
flat angles C4'-P-C4' energy: -11.141
flat angles P-C4'-P energy: -8.470
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: 3, replica: 8
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -107.427811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.427811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.427811 (E_RNA)
where:
Base-Base interactions energy: -59.123
where: short stacking energy: -34.180
Base-Backbone interact. energy: -1.067
local terms energy: -47.237418
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -9.450
flat angles C4'-P-C4' energy: -11.061
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -7.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -94.511730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.511730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.511730 (E_RNA)
where:
Base-Base interactions energy: -49.558
where: short stacking energy: -20.334
Base-Backbone interact. energy: -0.043
local terms energy: -44.910430
where:
bonds (distance) C4'-P energy: -9.957
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -11.267
flat angles P-C4'-P energy: -6.081
tors. eta vs tors. theta energy: -5.664
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: 7
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -69.784703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.784703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.784703 (E_RNA)
where:
Base-Base interactions energy: -29.864
where: short stacking energy: -19.076
Base-Backbone interact. energy: -0.175
local terms energy: -39.744946
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -10.754
flat angles C4'-P-C4' energy: -9.125
flat angles P-C4'-P energy: -5.050
tors. eta vs tors. theta energy: -3.752
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: 6, replica: 9
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -71.860600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.860600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.860600 (E_RNA)
where:
Base-Base interactions energy: -31.662
where: short stacking energy: -20.650
Base-Backbone interact. energy: -0.000
local terms energy: -40.198110
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -8.999
flat angles P-C4'-P energy: -6.869
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: 7, replica: 3
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -64.261811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.261811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.261811 (E_RNA)
where:
Base-Base interactions energy: -25.316
where: short stacking energy: -18.572
Base-Backbone interact. energy: -0.313
local terms energy: -38.632410
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -5.370
flat angles P-C4'-P energy: -5.852
tors. eta vs tors. theta energy: -2.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -60.146788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.146788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.146788 (E_RNA)
where:
Base-Base interactions energy: -16.769
where: short stacking energy: -12.680
Base-Backbone interact. energy: -0.188
local terms energy: -43.190306
where:
bonds (distance) C4'-P energy: -8.943
bonds (distance) P-C4' energy: -11.053
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -1.901
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: 10
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -64.867355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.867355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.867355 (E_RNA)
where:
Base-Base interactions energy: -28.968
where: short stacking energy: -12.027
Base-Backbone interact. energy: -0.112
local terms energy: -35.787181
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -7.690
flat angles C4'-P-C4' energy: -8.932
flat angles P-C4'-P energy: -4.244
tors. eta vs tors. theta energy: -1.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -65.692281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.692281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.692281 (E_RNA)
where:
Base-Base interactions energy: -22.262
where: short stacking energy: -22.262
Base-Backbone interact. energy: -0.001
local terms energy: -43.429420
where:
bonds (distance) C4'-P energy: -8.181
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -10.302
flat angles P-C4'-P energy: -5.271
tors. eta vs tors. theta energy: -8.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -133.100503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.100503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.100503 (E_RNA)
where:
Base-Base interactions energy: -88.172
where: short stacking energy: -34.813
Base-Backbone interact. energy: -0.117
local terms energy: -44.811613
where:
bonds (distance) C4'-P energy: -8.657
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -2.941
tors. eta vs tors. theta energy: -7.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -97.511446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.511446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.511446 (E_RNA)
where:
Base-Base interactions energy: -43.005
where: short stacking energy: -37.543
Base-Backbone interact. energy: 0.089
local terms energy: -54.595603
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -10.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -98.995407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.995407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.995407 (E_RNA)
where:
Base-Base interactions energy: -56.388
where: short stacking energy: -31.026
Base-Backbone interact. energy: -0.083
local terms energy: -42.524979
where:
bonds (distance) C4'-P energy: -8.170
bonds (distance) P-C4' energy: -10.059
flat angles C4'-P-C4' energy: -8.829
flat angles P-C4'-P energy: -6.362
tors. eta vs tors. theta energy: -9.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -90.950898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.950898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.950898 (E_RNA)
where:
Base-Base interactions energy: -54.477
where: short stacking energy: -28.056
Base-Backbone interact. energy: 1.424
local terms energy: -37.897842
where:
bonds (distance) C4'-P energy: -8.386
bonds (distance) P-C4' energy: -9.858
flat angles C4'-P-C4' energy: -9.725
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -2.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -73.763725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.763725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.763725 (E_RNA)
where:
Base-Base interactions energy: -32.487
where: short stacking energy: -32.487
Base-Backbone interact. energy: -0.057
local terms energy: -41.220184
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -8.185
flat angles C4'-P-C4' energy: -5.862
flat angles P-C4'-P energy: -5.092
tors. eta vs tors. theta energy: -9.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -69.151048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.151048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.151048 (E_RNA)
where:
Base-Base interactions energy: -33.240
where: short stacking energy: -17.254
Base-Backbone interact. energy: -0.188
local terms energy: -35.722565
where:
bonds (distance) C4'-P energy: -4.830
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -8.989
flat angles P-C4'-P energy: -4.653
tors. eta vs tors. theta energy: -6.181
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: 6
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -62.375112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.375112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.375112 (E_RNA)
where:
Base-Base interactions energy: -28.193
where: short stacking energy: -19.586
Base-Backbone interact. energy: -0.761
local terms energy: -33.421067
where:
bonds (distance) C4'-P energy: -9.301
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -9.317
flat angles P-C4'-P energy: -2.464
tors. eta vs tors. theta energy: -1.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -60.674531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.674531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.674531 (E_RNA)
where:
Base-Base interactions energy: -17.409
where: short stacking energy: -16.764
Base-Backbone interact. energy: -0.036
local terms energy: -43.229368
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -9.365
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -3.893
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: 1
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -52.388209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.388209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.388209 (E_RNA)
where:
Base-Base interactions energy: -16.287
where: short stacking energy: -10.552
Base-Backbone interact. energy: -0.163
local terms energy: -35.937660
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -9.850
flat angles C4'-P-C4' energy: -7.015
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: 1.333
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: 10
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -53.531645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.531645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.531645 (E_RNA)
where:
Base-Base interactions energy: -12.650
where: short stacking energy: -12.064
Base-Backbone interact. energy: -0.006
local terms energy: -40.875752
where:
bonds (distance) C4'-P energy: -9.515
bonds (distance) P-C4' energy: -10.482
flat angles C4'-P-C4' energy: -9.895
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -1.866
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: 4
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -137.612359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.612359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.612359 (E_RNA)
where:
Base-Base interactions energy: -90.993
where: short stacking energy: -37.485
Base-Backbone interact. energy: -0.211
local terms energy: -46.408907
where:
bonds (distance) C4'-P energy: -9.428
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -4.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -115.606714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.606714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.606714 (E_RNA)
where:
Base-Base interactions energy: -61.873
where: short stacking energy: -43.638
Base-Backbone interact. energy: -0.369
local terms energy: -53.365285
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -10.361
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -9.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -74.981764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.981764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.981764 (E_RNA)
where:
Base-Base interactions energy: -31.632
where: short stacking energy: -26.501
Base-Backbone interact. energy: -0.067
local terms energy: -43.282920
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -7.926
flat angles P-C4'-P energy: -6.066
tors. eta vs tors. theta energy: -5.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -79.065924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.065924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.065924 (E_RNA)
where:
Base-Base interactions energy: -32.801
where: short stacking energy: -32.801
Base-Backbone interact. energy: -0.003
local terms energy: -46.262221
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -8.275
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -8.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -84.190003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.190003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.190003 (E_RNA)
where:
Base-Base interactions energy: -48.510
where: short stacking energy: -24.881
Base-Backbone interact. energy: -0.012
local terms energy: -35.667142
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -10.168
flat angles P-C4'-P energy: -2.635
tors. eta vs tors. theta energy: -1.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -78.166450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.166450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.166450 (E_RNA)
where:
Base-Base interactions energy: -34.240
where: short stacking energy: -26.021
Base-Backbone interact. energy: -0.008
local terms energy: -43.918810
where:
bonds (distance) C4'-P energy: -9.643
bonds (distance) P-C4' energy: -9.781
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -4.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -61.700117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.700117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.700117 (E_RNA)
where:
Base-Base interactions energy: -21.441
where: short stacking energy: -20.834
Base-Backbone interact. energy: 0.377
local terms energy: -40.636086
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -2.508
tors. eta vs tors. theta energy: -1.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -60.193889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.193889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.193889 (E_RNA)
where:
Base-Base interactions energy: -18.366
where: short stacking energy: -17.101
Base-Backbone interact. energy: -0.001
local terms energy: -41.827425
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -7.483
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -1.872
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: 3
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -51.627504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.627504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.627504 (E_RNA)
where:
Base-Base interactions energy: -13.971
where: short stacking energy: -13.971
Base-Backbone interact. energy: -0.037
local terms energy: -37.619137
where:
bonds (distance) C4'-P energy: -9.506
bonds (distance) P-C4' energy: -7.690
flat angles C4'-P-C4' energy: -9.731
flat angles P-C4'-P energy: -6.084
tors. eta vs tors. theta energy: -4.609
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: 10
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -49.924996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.924996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.924996 (E_RNA)
where:
Base-Base interactions energy: -9.672
where: short stacking energy: -9.132
Base-Backbone interact. energy: -0.273
local terms energy: -39.980673
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -10.128
flat angles P-C4'-P energy: -6.650
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: 1, replica: 5
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -117.539715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.539715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.539715 (E_RNA)
where:
Base-Base interactions energy: -66.243
where: short stacking energy: -39.658
Base-Backbone interact. energy: -0.140
local terms energy: -51.157226
where:
bonds (distance) C4'-P energy: -8.927
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -9.560
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: 2, replica: 4
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -119.812255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.812255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.812255 (E_RNA)
where:
Base-Base interactions energy: -76.424
where: short stacking energy: -27.877
Base-Backbone interact. energy: -0.432
local terms energy: -42.955889
where:
bonds (distance) C4'-P energy: -11.617
bonds (distance) P-C4' energy: -10.071
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: -2.921
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: 444
Temperature: 1.000000
Total energy: -76.251307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.251307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.251307 (E_RNA)
where:
Base-Base interactions energy: -36.405
where: short stacking energy: -31.327
Base-Backbone interact. energy: -0.007
local terms energy: -39.839407
where:
bonds (distance) C4'-P energy: -6.713
bonds (distance) P-C4' energy: -9.036
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -6.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -76.190016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.190016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.190016 (E_RNA)
where:
Base-Base interactions energy: -29.490
where: short stacking energy: -23.124
Base-Backbone interact. energy: -0.032
local terms energy: -46.667471
where:
bonds (distance) C4'-P energy: -8.500
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -9.476
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: 5, replica: 7
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -71.730135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.730135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.730135 (E_RNA)
where:
Base-Base interactions energy: -25.069
where: short stacking energy: -25.069
Base-Backbone interact. energy: -0.046
local terms energy: -46.614634
where:
bonds (distance) C4'-P energy: -12.238
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -4.685
tors. eta vs tors. theta energy: -6.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -78.770959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.770959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.770959 (E_RNA)
where:
Base-Base interactions energy: -37.907
where: short stacking energy: -29.374
Base-Backbone interact. energy: -1.357
local terms energy: -39.507708
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -8.992
flat angles C4'-P-C4' energy: -9.928
flat angles P-C4'-P energy: -5.322
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: 7, replica: 1
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -64.508997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.508997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.508997 (E_RNA)
where:
Base-Base interactions energy: -22.787
where: short stacking energy: -22.787
Base-Backbone interact. energy: -0.004
local terms energy: -41.718362
where:
bonds (distance) C4'-P energy: -7.428
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -6.257
tors. eta vs tors. theta energy: -6.199
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: 444
Temperature: 1.250000
Total energy: -68.055680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.055680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.055680 (E_RNA)
where:
Base-Base interactions energy: -30.131
where: short stacking energy: -21.880
Base-Backbone interact. energy: -0.027
local terms energy: -37.897488
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -6.199
flat angles P-C4'-P energy: -6.849
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: 9, replica: 10
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -53.934307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.934307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.934307 (E_RNA)
where:
Base-Base interactions energy: -23.489
where: short stacking energy: -14.350
Base-Backbone interact. energy: -0.247
local terms energy: -30.198204
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -10.207
flat angles C4'-P-C4' energy: -9.678
flat angles P-C4'-P energy: -2.604
tors. eta vs tors. theta energy: 3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -56.772662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.772662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.772662 (E_RNA)
where:
Base-Base interactions energy: -25.215
where: short stacking energy: -18.328
Base-Backbone interact. energy: -0.002
local terms energy: -31.555911
where:
bonds (distance) C4'-P energy: -9.719
bonds (distance) P-C4' energy: -6.296
flat angles C4'-P-C4' energy: -4.252
flat angles P-C4'-P energy: -5.944
tors. eta vs tors. theta energy: -5.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -90.089298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.089298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.089298 (E_RNA)
where:
Base-Base interactions energy: -39.183
where: short stacking energy: -28.049
Base-Backbone interact. energy: -0.085
local terms energy: -50.821538
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -6.517
tors. eta vs tors. theta energy: -10.239
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: 4
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -130.373930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.373930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.373930 (E_RNA)
where:
Base-Base interactions energy: -81.534
where: short stacking energy: -32.048
Base-Backbone interact. energy: -0.771
local terms energy: -48.069355
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -5.364
tors. eta vs tors. theta energy: -10.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -77.479542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.479542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.479542 (E_RNA)
where:
Base-Base interactions energy: -29.092
where: short stacking energy: -29.092
Base-Backbone interact. energy: -0.010
local terms energy: -48.377113
where:
bonds (distance) C4'-P energy: -8.605
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -11.184
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -5.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -101.842165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.842165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.842165 (E_RNA)
where:
Base-Base interactions energy: -58.584
where: short stacking energy: -32.544
Base-Backbone interact. energy: -0.095
local terms energy: -43.162486
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -9.943
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -6.118
tors. eta vs tors. theta energy: -3.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -78.331661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.331661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.331661 (E_RNA)
where:
Base-Base interactions energy: -28.840
where: short stacking energy: -24.514
Base-Backbone interact. energy: -0.544
local terms energy: -48.947598
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: -5.233
tors. eta vs tors. theta energy: -6.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -63.072081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.072081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.072081 (E_RNA)
where:
Base-Base interactions energy: -19.395
where: short stacking energy: -19.395
Base-Backbone interact. energy: -0.106
local terms energy: -43.571327
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -9.967
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -6.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -64.291098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.291098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.291098 (E_RNA)
where:
Base-Base interactions energy: -21.912
where: short stacking energy: -19.509
Base-Backbone interact. energy: -0.306
local terms energy: -42.072706
where:
bonds (distance) C4'-P energy: -9.122
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -7.936
flat angles P-C4'-P energy: -8.236
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: 8, replica: 10
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -60.074454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.074454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.074454 (E_RNA)
where:
Base-Base interactions energy: -27.399
where: short stacking energy: -19.377
Base-Backbone interact. energy: -3.330
local terms energy: -29.345859
where:
bonds (distance) C4'-P energy: -6.389
bonds (distance) P-C4' energy: -8.305
flat angles C4'-P-C4' energy: -8.918
flat angles P-C4'-P energy: -3.149
tors. eta vs tors. theta energy: -2.585
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: 6
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -57.157870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.157870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.157870 (E_RNA)
where:
Base-Base interactions energy: -19.184
where: short stacking energy: -15.375
Base-Backbone interact. energy: -0.361
local terms energy: -37.612377
where:
bonds (distance) C4'-P energy: -8.509
bonds (distance) P-C4' energy: -9.588
flat angles C4'-P-C4' energy: -10.300
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -2.891
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: 10, replica: 3
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -52.142878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.142878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.142878 (E_RNA)
where:
Base-Base interactions energy: -16.765
where: short stacking energy: -13.873
Base-Backbone interact. energy: -0.491
local terms energy: -34.887093
where:
bonds (distance) C4'-P energy: -8.091
bonds (distance) P-C4' energy: -9.107
flat angles C4'-P-C4' energy: -9.234
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: -1.703
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: 4
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -126.603793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.603793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.603793 (E_RNA)
where:
Base-Base interactions energy: -84.094
where: short stacking energy: -22.817
Base-Backbone interact. energy: -1.541
local terms energy: -40.969580
where:
bonds (distance) C4'-P energy: -7.533
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -7.733
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: -6.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -107.599964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.599964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.599964 (E_RNA)
where:
Base-Base interactions energy: -63.831
where: short stacking energy: -26.995
Base-Backbone interact. energy: -0.024
local terms energy: -43.745026
where:
bonds (distance) C4'-P energy: -8.398
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -9.616
flat angles P-C4'-P energy: -7.628
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: 3, replica: 7
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -115.133030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.133030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.133030 (E_RNA)
where:
Base-Base interactions energy: -67.119
where: short stacking energy: -31.656
Base-Backbone interact. energy: -0.000
local terms energy: -48.013246
where:
bonds (distance) C4'-P energy: -8.924
bonds (distance) P-C4' energy: -9.397
flat angles C4'-P-C4' energy: -10.795
flat angles P-C4'-P energy: -5.785
tors. eta vs tors. theta energy: -13.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -70.108337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.108337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.108337 (E_RNA)
where:
Base-Base interactions energy: -24.967
where: short stacking energy: -23.548
Base-Backbone interact. energy: -0.086
local terms energy: -45.055487
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -5.207
tors. eta vs tors. theta energy: -4.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -77.820118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.820118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.820118 (E_RNA)
where:
Base-Base interactions energy: -40.840
where: short stacking energy: -20.540
Base-Backbone interact. energy: -0.158
local terms energy: -36.821902
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -10.905
flat angles C4'-P-C4' energy: -9.136
flat angles P-C4'-P energy: -4.188
tors. eta vs tors. theta energy: -1.005
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: 2
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -65.459915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.459915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.459915 (E_RNA)
where:
Base-Base interactions energy: -27.712
where: short stacking energy: -14.013
Base-Backbone interact. energy: -0.176
local terms energy: -37.571912
where:
bonds (distance) C4'-P energy: -10.736
bonds (distance) P-C4' energy: -8.729
flat angles C4'-P-C4' energy: -9.259
flat angles P-C4'-P energy: -4.904
tors. eta vs tors. theta energy: -3.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -65.716725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.716725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.716725 (E_RNA)
where:
Base-Base interactions energy: -33.867
where: short stacking energy: -15.002
Base-Backbone interact. energy: -0.200
local terms energy: -31.649730
where:
bonds (distance) C4'-P energy: -5.251
bonds (distance) P-C4' energy: -9.036
flat angles C4'-P-C4' energy: -7.382
flat angles P-C4'-P energy: -8.117
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: 8, replica: 8
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -57.647550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.647550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.647550 (E_RNA)
where:
Base-Base interactions energy: -21.326
where: short stacking energy: -15.892
Base-Backbone interact. energy: 0.866
local terms energy: -37.187319
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -7.585
flat angles C4'-P-C4' energy: -8.201
flat angles P-C4'-P energy: -8.354
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: 9, replica: 3
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -52.723059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.723059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.723059 (E_RNA)
where:
Base-Base interactions energy: -17.089
where: short stacking energy: -6.165
Base-Backbone interact. energy: -0.125
local terms energy: -35.509701
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -10.791
flat angles C4'-P-C4' energy: -8.613
flat angles P-C4'-P energy: -5.152
tors. eta vs tors. theta energy: -0.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -57.777566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.777566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.777566 (E_RNA)
where:
Base-Base interactions energy: -18.028
where: short stacking energy: -15.151
Base-Backbone interact. energy: -0.065
local terms energy: -39.684898
where:
bonds (distance) C4'-P energy: -9.862
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -4.959
tors. eta vs tors. theta energy: -0.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -134.014720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.014720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.014720 (E_RNA)
where:
Base-Base interactions energy: -83.880
where: short stacking energy: -28.332
Base-Backbone interact. energy: -0.195
local terms energy: -49.940077
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -12.671
flat angles C4'-P-C4' energy: -9.618
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -7.093
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: 7
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -121.394544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.394544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.394544 (E_RNA)
where:
Base-Base interactions energy: -71.106
where: short stacking energy: -43.752
Base-Backbone interact. energy: -0.018
local terms energy: -50.270409
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -10.086
flat angles P-C4'-P energy: -3.291
tors. eta vs tors. theta energy: -15.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -102.666732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.666732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.666732 (E_RNA)
where:
Base-Base interactions energy: -56.891
where: short stacking energy: -27.119
Base-Backbone interact. energy: -0.154
local terms energy: -45.621114
where:
bonds (distance) C4'-P energy: -10.136
bonds (distance) P-C4' energy: -11.064
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -7.095
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: 4, replica: 1
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -94.884641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.884641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.884641 (E_RNA)
where:
Base-Base interactions energy: -52.065
where: short stacking energy: -23.791
Base-Backbone interact. energy: -1.064
local terms energy: -41.755565
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -9.988
flat angles C4'-P-C4' energy: -8.143
flat angles P-C4'-P energy: -6.562
tors. eta vs tors. theta energy: -4.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -78.260631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.260631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.260631 (E_RNA)
where:
Base-Base interactions energy: -29.801
where: short stacking energy: -29.801
Base-Backbone interact. energy: -0.030
local terms energy: -48.429669
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -9.687
flat angles C4'-P-C4' energy: -11.460
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -7.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -76.101865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.101865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.101865 (E_RNA)
where:
Base-Base interactions energy: -35.049
where: short stacking energy: -13.007
Base-Backbone interact. energy: -0.451
local terms energy: -40.601696
where:
bonds (distance) C4'-P energy: -11.336
bonds (distance) P-C4' energy: -10.715
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -5.705
tors. eta vs tors. theta energy: -0.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -76.652415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.652415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.652415 (E_RNA)
where:
Base-Base interactions energy: -33.424
where: short stacking energy: -19.370
Base-Backbone interact. energy: -0.008
local terms energy: -43.220128
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -9.870
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -4.260
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: 3
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -69.869248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.869248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.869248 (E_RNA)
where:
Base-Base interactions energy: -35.289
where: short stacking energy: -15.291
Base-Backbone interact. energy: -0.121
local terms energy: -34.459204
where:
bonds (distance) C4'-P energy: -8.715
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -8.182
flat angles P-C4'-P energy: -5.754
tors. eta vs tors. theta energy: -0.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -68.899004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.899004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.899004 (E_RNA)
where:
Base-Base interactions energy: -33.852
where: short stacking energy: -10.601
Base-Backbone interact. energy: -0.597
local terms energy: -34.449344
where:
bonds (distance) C4'-P energy: -8.812
bonds (distance) P-C4' energy: -7.980
flat angles C4'-P-C4' energy: -9.268
flat angles P-C4'-P energy: -9.007
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: 6
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -49.634437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.634437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.634437 (E_RNA)
where:
Base-Base interactions energy: -15.381
where: short stacking energy: -14.811
Base-Backbone interact. energy: -0.176
local terms energy: -34.076830
where:
bonds (distance) C4'-P energy: -8.049
bonds (distance) P-C4' energy: -9.598
flat angles C4'-P-C4' energy: -11.073
flat angles P-C4'-P energy: -6.086
tors. eta vs tors. theta energy: 0.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -131.392220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.392220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.392220 (E_RNA)
where:
Base-Base interactions energy: -72.482
where: short stacking energy: -38.594
Base-Backbone interact. energy: -1.939
local terms energy: -56.970521
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -11.497
flat angles C4'-P-C4' energy: -10.663
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -14.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -125.914366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.914366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.914366 (E_RNA)
where:
Base-Base interactions energy: -76.863
where: short stacking energy: -31.486
Base-Backbone interact. energy: -0.178
local terms energy: -48.873288
where:
bonds (distance) C4'-P energy: -9.920
bonds (distance) P-C4' energy: -10.274
flat angles C4'-P-C4' energy: -10.345
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -8.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -99.419143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.419143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.419143 (E_RNA)
where:
Base-Base interactions energy: -58.372
where: short stacking energy: -29.482
Base-Backbone interact. energy: -0.591
local terms energy: -40.455615
where:
bonds (distance) C4'-P energy: -11.489
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -5.562
flat angles P-C4'-P energy: -2.480
tors. eta vs tors. theta energy: -8.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -76.986054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.986054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.986054 (E_RNA)
where:
Base-Base interactions energy: -37.995
where: short stacking energy: -14.579
Base-Backbone interact. energy: -0.211
local terms energy: -38.780172
where:
bonds (distance) C4'-P energy: -7.967
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -6.247
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: 5, replica: 2
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -90.367340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.367340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.367340 (E_RNA)
where:
Base-Base interactions energy: -50.555
where: short stacking energy: -24.424
Base-Backbone interact. energy: -0.322
local terms energy: -39.489692
where:
bonds (distance) C4'-P energy: -9.117
bonds (distance) P-C4' energy: -10.158
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -6.630
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: 6, replica: 9
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -73.703414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.703414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.703414 (E_RNA)
where:
Base-Base interactions energy: -30.480
where: short stacking energy: -30.480
Base-Backbone interact. energy: -0.000
local terms energy: -43.222979
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -8.710
flat angles P-C4'-P energy: -5.020
tors. eta vs tors. theta energy: -6.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -73.643567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.643567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.643567 (E_RNA)
where:
Base-Base interactions energy: -34.604
where: short stacking energy: -13.132
Base-Backbone interact. energy: -0.504
local terms energy: -38.535603
where:
bonds (distance) C4'-P energy: -7.920
bonds (distance) P-C4' energy: -10.261
flat angles C4'-P-C4' energy: -9.065
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -3.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -58.610759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.610759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.610759 (E_RNA)
where:
Base-Base interactions energy: -25.660
where: short stacking energy: -17.429
Base-Backbone interact. energy: -0.005
local terms energy: -32.945914
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -9.886
flat angles C4'-P-C4' energy: -9.627
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: 0.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -57.460743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.460743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.460743 (E_RNA)
where:
Base-Base interactions energy: -19.810
where: short stacking energy: -16.097
Base-Backbone interact. energy: -0.079
local terms energy: -37.572121
where:
bonds (distance) C4'-P energy: -10.174
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: 1.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -61.033556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.033556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.033556 (E_RNA)
where:
Base-Base interactions energy: -23.022
where: short stacking energy: -15.236
Base-Backbone interact. energy: -0.129
local terms energy: -37.882292
where:
bonds (distance) C4'-P energy: -10.434
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -8.653
flat angles P-C4'-P energy: -5.022
tors. eta vs tors. theta energy: -0.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -123.726948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.726948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.726948 (E_RNA)
where:
Base-Base interactions energy: -79.734
where: short stacking energy: -39.041
Base-Backbone interact. energy: -0.012
local terms energy: -43.981660
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -8.110
flat angles P-C4'-P energy: -7.054
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: 2, replica: 4
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -121.769464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.769464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.769464 (E_RNA)
where:
Base-Base interactions energy: -79.026
where: short stacking energy: -28.930
Base-Backbone interact. energy: 0.525
local terms energy: -43.268679
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -1.552
tors. eta vs tors. theta energy: -6.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -93.777326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.777326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.777326 (E_RNA)
where:
Base-Base interactions energy: -50.784
where: short stacking energy: -22.147
Base-Backbone interact. energy: -0.113
local terms energy: -42.880537
where:
bonds (distance) C4'-P energy: -9.655
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -8.999
flat angles P-C4'-P energy: -3.926
tors. eta vs tors. theta energy: -7.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -95.413547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.413547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.413547 (E_RNA)
where:
Base-Base interactions energy: -43.834
where: short stacking energy: -24.374
Base-Backbone interact. energy: -0.055
local terms energy: -51.524451
where:
bonds (distance) C4'-P energy: -8.526
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -12.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -76.892502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.892502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.892502 (E_RNA)
where:
Base-Base interactions energy: -36.377
where: short stacking energy: -14.695
Base-Backbone interact. energy: -0.076
local terms energy: -40.439494
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -8.679
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -9.444
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: 6, replica: 3
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -73.437693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.437693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.437693 (E_RNA)
where:
Base-Base interactions energy: -32.762
where: short stacking energy: -27.656
Base-Backbone interact. energy: -0.046
local terms energy: -40.630008
where:
bonds (distance) C4'-P energy: -8.868
bonds (distance) P-C4' energy: -11.723
flat angles C4'-P-C4' energy: -5.631
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -7.429
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: 9
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -62.448083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.448083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.448083 (E_RNA)
where:
Base-Base interactions energy: -18.737
where: short stacking energy: -18.737
Base-Backbone interact. energy: -0.173
local terms energy: -43.539021
where:
bonds (distance) C4'-P energy: -9.532
bonds (distance) P-C4' energy: -11.984
flat angles C4'-P-C4' energy: -9.926
flat angles P-C4'-P energy: -6.039
tors. eta vs tors. theta energy: -6.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -58.395244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.395244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.395244 (E_RNA)
where:
Base-Base interactions energy: -22.105
where: short stacking energy: -19.394
Base-Backbone interact. energy: -0.015
local terms energy: -36.275354
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -6.352
flat angles P-C4'-P energy: -3.878
tors. eta vs tors. theta energy: -3.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -61.488781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.488781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.488781 (E_RNA)
where:
Base-Base interactions energy: -17.207
where: short stacking energy: -16.590
Base-Backbone interact. energy: -0.147
local terms energy: -44.134685
where:
bonds (distance) C4'-P energy: -10.612
bonds (distance) P-C4' energy: -9.569
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -3.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -55.208570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.208570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.208570 (E_RNA)
where:
Base-Base interactions energy: -21.432
where: short stacking energy: -13.638
Base-Backbone interact. energy: -0.068
local terms energy: -33.707784
where:
bonds (distance) C4'-P energy: -8.749
bonds (distance) P-C4' energy: -8.588
flat angles C4'-P-C4' energy: -10.911
flat angles P-C4'-P energy: -3.204
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: 1, replica: 4
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -131.081106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.081106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.081106 (E_RNA)
where:
Base-Base interactions energy: -78.899
where: short stacking energy: -29.431
Base-Backbone interact. energy: -1.352
local terms energy: -50.830403
where:
bonds (distance) C4'-P energy: -9.221
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -5.678
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: 7
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -121.227414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.227414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.227414 (E_RNA)
where:
Base-Base interactions energy: -68.406
where: short stacking energy: -47.672
Base-Backbone interact. energy: -0.006
local terms energy: -52.815685
where:
bonds (distance) C4'-P energy: -9.270
bonds (distance) P-C4' energy: -10.778
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -12.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -106.745510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.745510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.745510 (E_RNA)
where:
Base-Base interactions energy: -60.781
where: short stacking energy: -24.807
Base-Backbone interact. energy: -0.966
local terms energy: -44.999099
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -11.800
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -4.367
tors. eta vs tors. theta energy: -5.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -93.652693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.652693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.652693 (E_RNA)
where:
Base-Base interactions energy: -50.938
where: short stacking energy: -24.377
Base-Backbone interact. energy: -0.102
local terms energy: -42.612431
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -10.633
flat angles P-C4'-P energy: 1.155
tors. eta vs tors. theta energy: -8.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -94.853861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.853861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.853861 (E_RNA)
where:
Base-Base interactions energy: -52.347
where: short stacking energy: -27.263
Base-Backbone interact. energy: -0.064
local terms energy: -42.443314
where:
bonds (distance) C4'-P energy: -10.085
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -4.283
tors. eta vs tors. theta energy: -5.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -83.014838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.014838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.014838 (E_RNA)
where:
Base-Base interactions energy: -35.990
where: short stacking energy: -27.725
Base-Backbone interact. energy: -0.002
local terms energy: -47.022684
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -10.494
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -5.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -61.576100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.576100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.576100 (E_RNA)
where:
Base-Base interactions energy: -20.838
where: short stacking energy: -20.563
Base-Backbone interact. energy: -0.023
local terms energy: -40.715354
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -10.253
flat angles C4'-P-C4' energy: -8.616
flat angles P-C4'-P energy: -4.003
tors. eta vs tors. theta energy: -6.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -61.609247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.609247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.609247 (E_RNA)
where:
Base-Base interactions energy: -26.697
where: short stacking energy: -23.565
Base-Backbone interact. energy: -0.301
local terms energy: -34.611428
where:
bonds (distance) C4'-P energy: -5.765
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -1.179
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: 6
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -56.495868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.495868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.495868 (E_RNA)
where:
Base-Base interactions energy: -17.642
where: short stacking energy: -15.804
Base-Backbone interact. energy: -0.134
local terms energy: -38.719692
where:
bonds (distance) C4'-P energy: -7.904
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -6.985
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -4.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -59.069563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.069563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.069563 (E_RNA)
where:
Base-Base interactions energy: -26.848
where: short stacking energy: -21.595
Base-Backbone interact. energy: -0.008
local terms energy: -32.213476
where:
bonds (distance) C4'-P energy: -5.868
bonds (distance) P-C4' energy: -5.964
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -3.313
tors. eta vs tors. theta energy: -5.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -130.954303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.954303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.954303 (E_RNA)
where:
Base-Base interactions energy: -85.535
where: short stacking energy: -35.590
Base-Backbone interact. energy: -0.723
local terms energy: -44.696169
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -11.127
flat angles C4'-P-C4' energy: -10.797
flat angles P-C4'-P energy: -4.128
tors. eta vs tors. theta energy: -8.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -113.657974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.657974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.657974 (E_RNA)
where:
Base-Base interactions energy: -73.785
where: short stacking energy: -32.219
Base-Backbone interact. energy: 0.463
local terms energy: -40.336193
where:
bonds (distance) C4'-P energy: -8.053
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: -6.003
tors. eta vs tors. theta energy: -4.768
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: 3, replica: 7
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -106.596407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.596407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.596407 (E_RNA)
where:
Base-Base interactions energy: -63.473
where: short stacking energy: -32.524
Base-Backbone interact. energy: -0.072
local terms energy: -43.051186
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -9.969
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -5.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -87.602852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.602852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.602852 (E_RNA)
where:
Base-Base interactions energy: -51.834
where: short stacking energy: -17.544
Base-Backbone interact. energy: -0.097
local terms energy: -35.672705
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -8.635
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -0.462
tors. eta vs tors. theta energy: -5.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -94.375936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.375936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.375936 (E_RNA)
where:
Base-Base interactions energy: -60.281
where: short stacking energy: -30.116
Base-Backbone interact. energy: -0.004
local terms energy: -34.091210
where:
bonds (distance) C4'-P energy: -7.031
bonds (distance) P-C4' energy: -10.024
flat angles C4'-P-C4' energy: -9.331
flat angles P-C4'-P energy: -4.111
tors. eta vs tors. theta energy: -3.596
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: 3
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -68.825386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.825386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.825386 (E_RNA)
where:
Base-Base interactions energy: -28.261
where: short stacking energy: -22.009
Base-Backbone interact. energy: -0.023
local terms energy: -40.541726
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -9.995
flat angles C4'-P-C4' energy: -9.306
flat angles P-C4'-P energy: -6.348
tors. eta vs tors. theta energy: -3.747
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: 8
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -65.716663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.716663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.716663 (E_RNA)
where:
Base-Base interactions energy: -21.083
where: short stacking energy: -21.083
Base-Backbone interact. energy: -0.069
local terms energy: -44.565205
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -9.696
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -4.147
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: 6
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -66.507354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.507354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.507354 (E_RNA)
where:
Base-Base interactions energy: -25.178
where: short stacking energy: -17.452
Base-Backbone interact. energy: 0.048
local terms energy: -41.377449
where:
bonds (distance) C4'-P energy: -9.750
bonds (distance) P-C4' energy: -11.603
flat angles C4'-P-C4' energy: -9.287
flat angles P-C4'-P energy: -7.859
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: 9, replica: 9
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -56.245409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.245409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.245409 (E_RNA)
where:
Base-Base interactions energy: -22.583
where: short stacking energy: -20.744
Base-Backbone interact. energy: 1.295
local terms energy: -34.957024
where:
bonds (distance) C4'-P energy: -8.505
bonds (distance) P-C4' energy: -8.444
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -3.785
tors. eta vs tors. theta energy: -3.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -82.221067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.221067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.221067 (E_RNA)
where:
Base-Base interactions energy: -36.573
where: short stacking energy: -15.540
Base-Backbone interact. energy: -0.239
local terms energy: -45.409087
where:
bonds (distance) C4'-P energy: -12.582
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -9.753
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -3.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -128.672386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.672386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.672386 (E_RNA)
where:
Base-Base interactions energy: -78.696
where: short stacking energy: -27.626
Base-Backbone interact. energy: -0.735
local terms energy: -49.242190
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -7.100
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -10.313
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: 5
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -127.329694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.329694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.329694 (E_RNA)
where:
Base-Base interactions energy: -85.731
where: short stacking energy: -33.399
Base-Backbone interact. energy: -0.767
local terms energy: -40.831475
where:
bonds (distance) C4'-P energy: -8.144
bonds (distance) P-C4' energy: -9.972
flat angles C4'-P-C4' energy: -10.017
flat angles P-C4'-P energy: -5.618
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: 3, replica: 7
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -84.177176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.177176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.177176 (E_RNA)
where:
Base-Base interactions energy: -38.205
where: short stacking energy: -27.291
Base-Backbone interact. energy: -0.083
local terms energy: -45.889580
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -11.183
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -88.283041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.283041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.283041 (E_RNA)
where:
Base-Base interactions energy: -46.382
where: short stacking energy: -29.814
Base-Backbone interact. energy: 0.373
local terms energy: -42.274904
where:
bonds (distance) C4'-P energy: -8.183
bonds (distance) P-C4' energy: -8.917
flat angles C4'-P-C4' energy: -9.375
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -6.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -88.094008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.094008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.094008 (E_RNA)
where:
Base-Base interactions energy: -51.097
where: short stacking energy: -17.511
Base-Backbone interact. energy: -0.730
local terms energy: -36.267716
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -5.554
flat angles C4'-P-C4' energy: -10.511
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -2.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -71.570346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.570346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.570346 (E_RNA)
where:
Base-Base interactions energy: -31.949
where: short stacking energy: -23.071
Base-Backbone interact. energy: -0.226
local terms energy: -39.394689
where:
bonds (distance) C4'-P energy: -9.337
bonds (distance) P-C4' energy: -11.576
flat angles C4'-P-C4' energy: -8.823
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -2.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -64.269959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.269959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.269959 (E_RNA)
where:
Base-Base interactions energy: -24.242
where: short stacking energy: -23.333
Base-Backbone interact. energy: -0.004
local terms energy: -40.023902
where:
bonds (distance) C4'-P energy: -8.352
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -9.217
flat angles P-C4'-P energy: -4.073
tors. eta vs tors. theta energy: -5.641
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: 452
Temperature: 1.250000
Total energy: -66.088594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.088594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.088594 (E_RNA)
where:
Base-Base interactions energy: -31.217
where: short stacking energy: -20.838
Base-Backbone interact. energy: -0.008
local terms energy: -34.863682
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -10.643
flat angles P-C4'-P energy: -0.027
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: 9, replica: 10
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -62.390069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.390069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.390069 (E_RNA)
where:
Base-Base interactions energy: -26.669
where: short stacking energy: -9.731
Base-Backbone interact. energy: -0.892
local terms energy: -34.829392
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -6.378
flat angles P-C4'-P energy: -4.778
tors. eta vs tors. theta energy: -0.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -55.411744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.411744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.411744 (E_RNA)
where:
Base-Base interactions energy: -22.905
where: short stacking energy: -23.565
Base-Backbone interact. energy: -0.040
local terms energy: -32.467105
where:
bonds (distance) C4'-P energy: -8.103
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -5.631
flat angles P-C4'-P energy: -1.815
tors. eta vs tors. theta energy: -3.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -125.766718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.766718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.766718 (E_RNA)
where:
Base-Base interactions energy: -77.643
where: short stacking energy: -29.002
Base-Backbone interact. energy: -0.874
local terms energy: -47.250021
where:
bonds (distance) C4'-P energy: -10.256
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -10.305
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: -8.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -140.387128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.387128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.387128 (E_RNA)
where:
Base-Base interactions energy: -88.669
where: short stacking energy: -39.347
Base-Backbone interact. energy: -0.772
local terms energy: -50.946101
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -11.808
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -8.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -95.416078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.416078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.416078 (E_RNA)
where:
Base-Base interactions energy: -53.747
where: short stacking energy: -31.374
Base-Backbone interact. energy: -0.122
local terms energy: -41.546445
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -11.373
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -5.434
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: 4, replica: 1
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -112.525151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.525151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.525151 (E_RNA)
where:
Base-Base interactions energy: -71.801
where: short stacking energy: -30.377
Base-Backbone interact. energy: -0.165
local terms energy: -40.559597
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -8.039
flat angles P-C4'-P energy: -1.016
tors. eta vs tors. theta energy: -9.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -80.876255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.876255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.876255 (E_RNA)
where:
Base-Base interactions energy: -45.441
where: short stacking energy: -29.117
Base-Backbone interact. energy: -0.014
local terms energy: -35.421136
where:
bonds (distance) C4'-P energy: -8.864
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -7.299
flat angles P-C4'-P energy: -3.261
tors. eta vs tors. theta energy: -3.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -68.872555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.872555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.872555 (E_RNA)
where:
Base-Base interactions energy: -24.999
where: short stacking energy: -24.999
Base-Backbone interact. energy: -0.011
local terms energy: -43.862623
where:
bonds (distance) C4'-P energy: -8.633
bonds (distance) P-C4' energy: -9.997
flat angles C4'-P-C4' energy: -10.535
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -5.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -54.342158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.342158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.342158 (E_RNA)
where:
Base-Base interactions energy: -26.132
where: short stacking energy: -9.916
Base-Backbone interact. energy: 2.363
local terms energy: -30.573503
where:
bonds (distance) C4'-P energy: -9.560
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -4.854
flat angles P-C4'-P energy: -7.982
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: 10
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -74.211192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.211192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.211192 (E_RNA)
where:
Base-Base interactions energy: -30.246
where: short stacking energy: -28.691
Base-Backbone interact. energy: -0.029
local terms energy: -43.935585
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -9.456
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -4.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -55.002591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.002591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.002591 (E_RNA)
where:
Base-Base interactions energy: -18.296
where: short stacking energy: -18.296
Base-Backbone interact. energy: -0.015
local terms energy: -36.691229
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -6.766
flat angles C4'-P-C4' energy: -10.339
flat angles P-C4'-P energy: -6.213
tors. eta vs tors. theta energy: -0.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -56.366255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.366255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.366255 (E_RNA)
where:
Base-Base interactions energy: -15.595
where: short stacking energy: -15.595
Base-Backbone interact. energy: 0.135
local terms energy: -40.906299
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -9.849
flat angles C4'-P-C4' energy: -6.238
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -3.757
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: 5
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -139.430297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.430297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.430297 (E_RNA)
where:
Base-Base interactions energy: -87.919
where: short stacking energy: -29.673
Base-Backbone interact. energy: -0.858
local terms energy: -50.652839
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -6.907
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: 2, replica: 4
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -123.703055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.703055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.703055 (E_RNA)
where:
Base-Base interactions energy: -80.314
where: short stacking energy: -32.730
Base-Backbone interact. energy: 0.728
local terms energy: -44.117094
where:
bonds (distance) C4'-P energy: -10.033
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -7.767
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -9.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -102.542541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.542541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.542541 (E_RNA)
where:
Base-Base interactions energy: -65.284
where: short stacking energy: -25.387
Base-Backbone interact. energy: -0.272
local terms energy: -36.986279
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -6.896
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -3.856
tors. eta vs tors. theta energy: -4.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -116.348459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.348459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.348459 (E_RNA)
where:
Base-Base interactions energy: -70.858
where: short stacking energy: -35.181
Base-Backbone interact. energy: -0.114
local terms energy: -45.376501
where:
bonds (distance) C4'-P energy: -6.571
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -9.683
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -10.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -75.507515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.507515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.507515 (E_RNA)
where:
Base-Base interactions energy: -35.954
where: short stacking energy: -25.568
Base-Backbone interact. energy: -0.005
local terms energy: -39.548767
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -10.128
flat angles C4'-P-C4' energy: -9.617
flat angles P-C4'-P energy: -4.326
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: 6, replica: 3
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -78.390309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.390309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.390309 (E_RNA)
where:
Base-Base interactions energy: -39.468
where: short stacking energy: -18.237
Base-Backbone interact. energy: -0.917
local terms energy: -38.004897
where:
bonds (distance) C4'-P energy: -8.252
bonds (distance) P-C4' energy: -10.712
flat angles C4'-P-C4' energy: -10.732
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -1.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -74.106087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.106087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.106087 (E_RNA)
where:
Base-Base interactions energy: -37.832
where: short stacking energy: -24.151
Base-Backbone interact. energy: -0.258
local terms energy: -36.015887
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -8.117
flat angles P-C4'-P energy: -4.560
tors. eta vs tors. theta energy: -0.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -67.669996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.669996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.669996 (E_RNA)
where:
Base-Base interactions energy: -30.101
where: short stacking energy: -12.574
Base-Backbone interact. energy: -0.175
local terms energy: -37.393575
where:
bonds (distance) C4'-P energy: -7.710
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -9.270
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: -1.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -53.100577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.100577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.100577 (E_RNA)
where:
Base-Base interactions energy: -19.213
where: short stacking energy: -12.557
Base-Backbone interact. energy: -0.041
local terms energy: -33.845693
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -10.699
flat angles C4'-P-C4' energy: -9.420
flat angles P-C4'-P energy: -4.549
tors. eta vs tors. theta energy: 2.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -53.023698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.023698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.023698 (E_RNA)
where:
Base-Base interactions energy: -18.547
where: short stacking energy: -16.118
Base-Backbone interact. energy: -0.889
local terms energy: -33.587464
where:
bonds (distance) C4'-P energy: -9.279
bonds (distance) P-C4' energy: -8.417
flat angles C4'-P-C4' energy: -8.673
flat angles P-C4'-P energy: -3.935
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: 5
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -142.818278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.818278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.818278 (E_RNA)
where:
Base-Base interactions energy: -95.857
where: short stacking energy: -31.097
Base-Backbone interact. energy: -0.377
local terms energy: -46.583829
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -7.821
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -8.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -112.403589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.403589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.403589 (E_RNA)
where:
Base-Base interactions energy: -67.439
where: short stacking energy: -31.202
Base-Backbone interact. energy: -0.110
local terms energy: -44.854979
where:
bonds (distance) C4'-P energy: -8.798
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -9.147
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -5.592
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: 3, replica: 4
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -127.894887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.894887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.894887 (E_RNA)
where:
Base-Base interactions energy: -79.891
where: short stacking energy: -33.067
Base-Backbone interact. energy: -0.931
local terms energy: -47.072909
where:
bonds (distance) C4'-P energy: -8.083
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -4.937
tors. eta vs tors. theta energy: -10.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -77.841537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.841537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.841537 (E_RNA)
where:
Base-Base interactions energy: -37.478
where: short stacking energy: -21.687
Base-Backbone interact. energy: -0.031
local terms energy: -40.332804
where:
bonds (distance) C4'-P energy: -7.676
bonds (distance) P-C4' energy: -10.336
flat angles C4'-P-C4' energy: -9.712
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: -5.740
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: 5, replica: 1
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -112.527506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.527506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.527506 (E_RNA)
where:
Base-Base interactions energy: -70.074
where: short stacking energy: -29.848
Base-Backbone interact. energy: -0.237
local terms energy: -42.215900
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -9.588
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -3.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -61.660315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.660315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.660315 (E_RNA)
where:
Base-Base interactions energy: -26.401
where: short stacking energy: -18.815
Base-Backbone interact. energy: -0.097
local terms energy: -35.162401
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -8.662
flat angles C4'-P-C4' energy: -10.436
flat angles P-C4'-P energy: -0.052
tors. eta vs tors. theta energy: -3.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -65.516166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.516166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.516166 (E_RNA)
where:
Base-Base interactions energy: -28.592
where: short stacking energy: -24.181
Base-Backbone interact. energy: 0.656
local terms energy: -37.579668
where:
bonds (distance) C4'-P energy: -7.154
bonds (distance) P-C4' energy: -9.330
flat angles C4'-P-C4' energy: -9.621
flat angles P-C4'-P energy: -5.198
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: 9
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -67.037203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.037203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.037203 (E_RNA)
where:
Base-Base interactions energy: -26.845
where: short stacking energy: -26.342
Base-Backbone interact. energy: -0.008
local terms energy: -40.184618
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -9.345
flat angles C4'-P-C4' energy: -7.129
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -5.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -58.572708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.572708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.572708 (E_RNA)
where:
Base-Base interactions energy: -34.812
where: short stacking energy: -25.197
Base-Backbone interact. energy: -0.152
local terms energy: -23.608483
where:
bonds (distance) C4'-P energy: -4.501
bonds (distance) P-C4' energy: -7.401
flat angles C4'-P-C4' energy: -7.068
flat angles P-C4'-P energy: -5.255
tors. eta vs tors. theta energy: 0.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -51.260212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.260212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.260212 (E_RNA)
where:
Base-Base interactions energy: -16.235
where: short stacking energy: -16.235
Base-Backbone interact. energy: 1.354
local terms energy: -36.379257
where:
bonds (distance) C4'-P energy: -8.117
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -8.989
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -0.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -145.355127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.355127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.355127 (E_RNA)
where:
Base-Base interactions energy: -93.770
where: short stacking energy: -33.329
Base-Backbone interact. energy: -0.228
local terms energy: -51.356952
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: -6.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -115.978932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.978932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.978932 (E_RNA)
where:
Base-Base interactions energy: -71.867
where: short stacking energy: -38.511
Base-Backbone interact. energy: -0.504
local terms energy: -43.607002
where:
bonds (distance) C4'-P energy: -9.473
bonds (distance) P-C4' energy: -8.984
flat angles C4'-P-C4' energy: -9.110
flat angles P-C4'-P energy: -6.319
tors. eta vs tors. theta energy: -9.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -96.196181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.196181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.196181 (E_RNA)
where:
Base-Base interactions energy: -56.515
where: short stacking energy: -31.277
Base-Backbone interact. energy: -0.331
local terms energy: -39.350580
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -11.504
flat angles C4'-P-C4' energy: -4.371
flat angles P-C4'-P energy: -5.258
tors. eta vs tors. theta energy: -8.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -82.666477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.666477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.666477 (E_RNA)
where:
Base-Base interactions energy: -39.959
where: short stacking energy: -39.947
Base-Backbone interact. energy: -0.020
local terms energy: -42.687627
where:
bonds (distance) C4'-P energy: -4.352
bonds (distance) P-C4' energy: -11.331
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: -9.682
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: 10
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -71.852436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.852436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.852436 (E_RNA)
where:
Base-Base interactions energy: -27.429
where: short stacking energy: -24.168
Base-Backbone interact. energy: -1.889
local terms energy: -42.534175
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -8.406
flat angles P-C4'-P energy: -5.463
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: 6, replica: 1
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -67.908246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.908246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.908246 (E_RNA)
where:
Base-Base interactions energy: -25.976
where: short stacking energy: -24.386
Base-Backbone interact. energy: 1.543
local terms energy: -43.474908
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -10.215
flat angles P-C4'-P energy: -5.102
tors. eta vs tors. theta energy: -3.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -61.032194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.032194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.032194 (E_RNA)
where:
Base-Base interactions energy: -16.128
where: short stacking energy: -10.581
Base-Backbone interact. energy: 0.174
local terms energy: -45.078006
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: 1.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -63.477525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.477525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.477525 (E_RNA)
where:
Base-Base interactions energy: -19.490
where: short stacking energy: -14.424
Base-Backbone interact. energy: -0.381
local terms energy: -43.606008
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -9.109
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -2.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -56.472561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.472561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.472561 (E_RNA)
where:
Base-Base interactions energy: -17.547
where: short stacking energy: -13.549
Base-Backbone interact. energy: -0.396
local terms energy: -38.529392
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -10.011
flat angles P-C4'-P energy: -6.186
tors. eta vs tors. theta energy: 0.316
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: 6
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -48.827551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.827551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.827551 (E_RNA)
where:
Base-Base interactions energy: -12.915
where: short stacking energy: -12.915
Base-Backbone interact. energy: -0.058
local terms energy: -35.854127
where:
bonds (distance) C4'-P energy: -8.678
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -10.676
flat angles P-C4'-P energy: -5.232
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: 1, replica: 5
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -141.083346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.083346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.083346 (E_RNA)
where:
Base-Base interactions energy: -94.989
where: short stacking energy: -41.750
Base-Backbone interact. energy: 0.305
local terms energy: -46.399201
where:
bonds (distance) C4'-P energy: -8.695
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -10.557
flat angles P-C4'-P energy: -7.520
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: 2, replica: 7
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -124.988859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.988859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.988859 (E_RNA)
where:
Base-Base interactions energy: -76.918
where: short stacking energy: -37.642
Base-Backbone interact. energy: -0.002
local terms energy: -48.068309
where:
bonds (distance) C4'-P energy: -9.151
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -4.643
tors. eta vs tors. theta energy: -11.215
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: 4
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -111.935559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.935559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.935559 (E_RNA)
where:
Base-Base interactions energy: -69.449
where: short stacking energy: -23.647
Base-Backbone interact. energy: -0.186
local terms energy: -42.300163
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -8.210
flat angles C4'-P-C4' energy: -9.233
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -5.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -80.332142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.332142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.332142 (E_RNA)
where:
Base-Base interactions energy: -28.837
where: short stacking energy: -28.837
Base-Backbone interact. energy: -0.007
local terms energy: -51.488385
where:
bonds (distance) C4'-P energy: -11.109
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: -9.302
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: 5, replica: 2
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -86.767065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.767065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.767065 (E_RNA)
where:
Base-Base interactions energy: -41.149
where: short stacking energy: -20.963
Base-Backbone interact. energy: 1.991
local terms energy: -47.609026
where:
bonds (distance) C4'-P energy: -9.825
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -4.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -63.679777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.679777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.679777 (E_RNA)
where:
Base-Base interactions energy: -24.894
where: short stacking energy: -15.783
Base-Backbone interact. energy: -0.126
local terms energy: -38.660304
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -9.694
flat angles C4'-P-C4' energy: -8.570
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -1.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -62.776253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.776253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.776253 (E_RNA)
where:
Base-Base interactions energy: -26.467
where: short stacking energy: -24.821
Base-Backbone interact. energy: -0.190
local terms energy: -36.119175
where:
bonds (distance) C4'-P energy: -7.731
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: 0.419
tors. eta vs tors. theta energy: -5.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -68.484253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.484253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.484253 (E_RNA)
where:
Base-Base interactions energy: -24.805
where: short stacking energy: -24.085
Base-Backbone interact. energy: -0.004
local terms energy: -43.675639
where:
bonds (distance) C4'-P energy: -9.395
bonds (distance) P-C4' energy: -9.302
flat angles C4'-P-C4' energy: -9.885
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -8.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -72.701725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.701725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.701725 (E_RNA)
where:
Base-Base interactions energy: -29.566
where: short stacking energy: -24.993
Base-Backbone interact. energy: -0.190
local terms energy: -42.946200
where:
bonds (distance) C4'-P energy: -8.323
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -10.228
flat angles P-C4'-P energy: -4.714
tors. eta vs tors. theta energy: -6.371
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: 6
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -60.291254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.291254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.291254 (E_RNA)
where:
Base-Base interactions energy: -25.167
where: short stacking energy: -19.193
Base-Backbone interact. energy: 0.355
local terms energy: -35.478455
where:
bonds (distance) C4'-P energy: -8.078
bonds (distance) P-C4' energy: -9.862
flat angles C4'-P-C4' energy: -11.579
flat angles P-C4'-P energy: -5.177
tors. eta vs tors. theta energy: -0.782
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: 5
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -141.032391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.032391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.032391 (E_RNA)
where:
Base-Base interactions energy: -91.030
where: short stacking energy: -32.013
Base-Backbone interact. energy: 0.128
local terms energy: -50.130296
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -6.664
tors. eta vs tors. theta energy: -8.985
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: 2, replica: 7
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -113.375677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.375677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.375677 (E_RNA)
where:
Base-Base interactions energy: -69.316
where: short stacking energy: -34.599
Base-Backbone interact. energy: -0.003
local terms energy: -44.056260
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -8.816
flat angles P-C4'-P energy: -8.262
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: 3, replica: 4
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -111.801747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.801747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.801747 (E_RNA)
where:
Base-Base interactions energy: -69.588
where: short stacking energy: -34.995
Base-Backbone interact. energy: -0.080
local terms energy: -42.133110
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -8.503
flat angles C4'-P-C4' energy: -11.926
flat angles P-C4'-P energy: -3.207
tors. eta vs tors. theta energy: -7.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -67.550372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.550372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.550372 (E_RNA)
where:
Base-Base interactions energy: -29.861
where: short stacking energy: -19.265
Base-Backbone interact. energy: -0.093
local terms energy: -37.596970
where:
bonds (distance) C4'-P energy: -9.393
bonds (distance) P-C4' energy: -9.343
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -0.618
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: 9
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -57.911878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.911878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.911878 (E_RNA)
where:
Base-Base interactions energy: -18.714
where: short stacking energy: -18.714
Base-Backbone interact. energy: -0.035
local terms energy: -39.162587
where:
bonds (distance) C4'-P energy: -9.919
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -10.073
flat angles P-C4'-P energy: -3.185
tors. eta vs tors. theta energy: -3.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -74.365708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.365708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.365708 (E_RNA)
where:
Base-Base interactions energy: -38.042
where: short stacking energy: -24.905
Base-Backbone interact. energy: -0.051
local terms energy: -36.272971
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -7.253
flat angles C4'-P-C4' energy: -9.051
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: -2.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -64.676223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.676223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.676223 (E_RNA)
where:
Base-Base interactions energy: -26.220
where: short stacking energy: -15.965
Base-Backbone interact. energy: -0.160
local terms energy: -38.296082
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -9.207
flat angles C4'-P-C4' energy: -8.884
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -0.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -67.379372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.379372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.379372 (E_RNA)
where:
Base-Base interactions energy: -27.076
where: short stacking energy: -20.905
Base-Backbone interact. energy: -0.249
local terms energy: -40.053993
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -11.892
flat angles C4'-P-C4' energy: -8.951
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -0.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -57.604501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.604501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.604501 (E_RNA)
where:
Base-Base interactions energy: -21.319
where: short stacking energy: -18.563
Base-Backbone interact. energy: -0.018
local terms energy: -36.266779
where:
bonds (distance) C4'-P energy: -10.595
bonds (distance) P-C4' energy: -6.328
flat angles C4'-P-C4' energy: -7.613
flat angles P-C4'-P energy: -5.057
tors. eta vs tors. theta energy: -6.674
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: 3
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -60.080291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.080291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.080291 (E_RNA)
where:
Base-Base interactions energy: -30.429
where: short stacking energy: -17.326
Base-Backbone interact. energy: -1.765
local terms energy: -27.885728
where:
bonds (distance) C4'-P energy: -9.334
bonds (distance) P-C4' energy: -7.584
flat angles C4'-P-C4' energy: -7.232
flat angles P-C4'-P energy: -3.815
tors. eta vs tors. theta energy: 0.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -147.004489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.004489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.004489 (E_RNA)
where:
Base-Base interactions energy: -99.942
where: short stacking energy: -40.470
Base-Backbone interact. energy: -0.635
local terms energy: -46.427447
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -6.808
flat angles P-C4'-P energy: -5.208
tors. eta vs tors. theta energy: -10.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -121.314868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.314868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.314868 (E_RNA)
where:
Base-Base interactions energy: -72.474
where: short stacking energy: -37.161
Base-Backbone interact. energy: -0.001
local terms energy: -48.839809
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -7.172
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -7.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -107.717452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.717452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.717452 (E_RNA)
where:
Base-Base interactions energy: -65.915
where: short stacking energy: -18.732
Base-Backbone interact. energy: 0.440
local terms energy: -42.242613
where:
bonds (distance) C4'-P energy: -8.278
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -9.507
flat angles P-C4'-P energy: -7.417
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: 4, replica: 9
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -71.657340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.657340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.657340 (E_RNA)
where:
Base-Base interactions energy: -30.395
where: short stacking energy: -26.170
Base-Backbone interact. energy: -0.100
local terms energy: -41.161891
where:
bonds (distance) C4'-P energy: -9.645
bonds (distance) P-C4' energy: -10.238
flat angles C4'-P-C4' energy: -9.844
flat angles P-C4'-P energy: -6.320
tors. eta vs tors. theta energy: -5.116
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: 10
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -73.978641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.978641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.978641 (E_RNA)
where:
Base-Base interactions energy: -28.289
where: short stacking energy: -28.289
Base-Backbone interact. energy: -0.460
local terms energy: -45.229377
where:
bonds (distance) C4'-P energy: -10.045
bonds (distance) P-C4' energy: -10.414
flat angles C4'-P-C4' energy: -9.883
flat angles P-C4'-P energy: -7.525
tors. eta vs tors. theta energy: -7.361
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: 2
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -66.307799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.307799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.307799 (E_RNA)
where:
Base-Base interactions energy: -29.923
where: short stacking energy: -26.456
Base-Backbone interact. energy: -0.021
local terms energy: -36.363549
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -10.629
flat angles C4'-P-C4' energy: -6.965
flat angles P-C4'-P energy: -3.063
tors. eta vs tors. theta energy: -4.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -62.803128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.803128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.803128 (E_RNA)
where:
Base-Base interactions energy: -29.095
where: short stacking energy: -11.800
Base-Backbone interact. energy: -0.334
local terms energy: -33.373307
where:
bonds (distance) C4'-P energy: -9.217
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -8.845
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: 5.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -58.730435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.730435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.730435 (E_RNA)
where:
Base-Base interactions energy: -27.535
where: short stacking energy: -19.141
Base-Backbone interact. energy: -0.155
local terms energy: -31.041098
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -10.302
flat angles C4'-P-C4' energy: -7.925
flat angles P-C4'-P energy: -3.637
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: 9, replica: 8
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -54.390788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.390788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.390788 (E_RNA)
where:
Base-Base interactions energy: -20.600
where: short stacking energy: -14.536
Base-Backbone interact. energy: 0.103
local terms energy: -33.893819
where:
bonds (distance) C4'-P energy: -9.698
bonds (distance) P-C4' energy: -8.377
flat angles C4'-P-C4' energy: -9.636
flat angles P-C4'-P energy: -4.785
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: 3
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -61.191260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.191260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.191260 (E_RNA)
where:
Base-Base interactions energy: -31.726
where: short stacking energy: -17.774
Base-Backbone interact. energy: -0.233
local terms energy: -29.232726
where:
bonds (distance) C4'-P energy: -7.339
bonds (distance) P-C4' energy: -10.718
flat angles C4'-P-C4' energy: -9.931
flat angles P-C4'-P energy: -4.061
tors. eta vs tors. theta energy: 2.816
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: 1, replica: 5
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -146.342548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.342548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.342548 (E_RNA)
where:
Base-Base interactions energy: -94.827
where: short stacking energy: -40.812
Base-Backbone interact. energy: -1.169
local terms energy: -50.346547
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -10.495
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -8.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -89.366900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.366900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.366900 (E_RNA)
where:
Base-Base interactions energy: -39.064
where: short stacking energy: -37.540
Base-Backbone interact. energy: 0.059
local terms energy: -50.362598
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -11.212
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -8.035
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: 9
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -77.192876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.192876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.192876 (E_RNA)
where:
Base-Base interactions energy: -31.416
where: short stacking energy: -31.416
Base-Backbone interact. energy: -0.024
local terms energy: -45.753187
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -2.698
tors. eta vs tors. theta energy: -7.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -108.271657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.271657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.271657 (E_RNA)
where:
Base-Base interactions energy: -72.416
where: short stacking energy: -25.967
Base-Backbone interact. energy: -0.097
local terms energy: -35.758380
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -8.855
flat angles C4'-P-C4' energy: -3.896
flat angles P-C4'-P energy: -3.974
tors. eta vs tors. theta energy: -8.153
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: 10
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -67.783558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.783558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.783558 (E_RNA)
where:
Base-Base interactions energy: -37.918
where: short stacking energy: -22.459
Base-Backbone interact. energy: -0.142
local terms energy: -29.723080
where:
bonds (distance) C4'-P energy: -9.536
bonds (distance) P-C4' energy: -9.257
flat angles C4'-P-C4' energy: -7.326
flat angles P-C4'-P energy: -2.646
tors. eta vs tors. theta energy: -0.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -67.448349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.448349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.448349 (E_RNA)
where:
Base-Base interactions energy: -23.879
where: short stacking energy: -23.879
Base-Backbone interact. energy: -0.108
local terms energy: -43.460684
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -9.047
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -5.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -65.295727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.295727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.295727 (E_RNA)
where:
Base-Base interactions energy: -29.196
where: short stacking energy: -24.204
Base-Backbone interact. energy: -0.003
local terms energy: -36.097187
where:
bonds (distance) C4'-P energy: -8.315
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: 0.190
tors. eta vs tors. theta energy: -3.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -51.699829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.699829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.699829 (E_RNA)
where:
Base-Base interactions energy: -19.193
where: short stacking energy: -16.044
Base-Backbone interact. energy: -0.186
local terms energy: -32.320741
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -9.859
flat angles C4'-P-C4' energy: -5.479
flat angles P-C4'-P energy: -5.790
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: 3
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -62.487426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.487426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.487426 (E_RNA)
where:
Base-Base interactions energy: -28.809
where: short stacking energy: -20.178
Base-Backbone interact. energy: 0.050
local terms energy: -33.728221
where:
bonds (distance) C4'-P energy: -5.685
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -7.319
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -0.830
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: 10, replica: 8
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -50.292616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.292616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.292616 (E_RNA)
where:
Base-Base interactions energy: -14.416
where: short stacking energy: -11.760
Base-Backbone interact. energy: -0.135
local terms energy: -35.741227
where:
bonds (distance) C4'-P energy: -9.982
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -10.575
flat angles P-C4'-P energy: -5.192
tors. eta vs tors. theta energy: 1.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -136.686160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.686160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.686160 (E_RNA)
where:
Base-Base interactions energy: -92.334
where: short stacking energy: -30.235
Base-Backbone interact. energy: 0.355
local terms energy: -44.707514
where:
bonds (distance) C4'-P energy: -9.826
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -5.025
tors. eta vs tors. theta energy: -4.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -94.721907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.721907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.721907 (E_RNA)
where:
Base-Base interactions energy: -49.043
where: short stacking energy: -29.337
Base-Backbone interact. energy: -0.465
local terms energy: -45.213885
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -3.991
tors. eta vs tors. theta energy: -6.170
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: 3, replica: 9
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -74.352336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.352336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.352336 (E_RNA)
where:
Base-Base interactions energy: -32.452
where: short stacking energy: -26.187
Base-Backbone interact. energy: -0.094
local terms energy: -41.806054
where:
bonds (distance) C4'-P energy: -9.949
bonds (distance) P-C4' energy: -10.175
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -3.901
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: 4, replica: 4
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -103.125175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.125175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.125175 (E_RNA)
where:
Base-Base interactions energy: -57.867
where: short stacking energy: -36.636
Base-Backbone interact. energy: 1.187
local terms energy: -46.445761
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -9.161
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -89.972403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.972403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.972403 (E_RNA)
where:
Base-Base interactions energy: -54.433
where: short stacking energy: -15.263
Base-Backbone interact. energy: -0.517
local terms energy: -35.022911
where:
bonds (distance) C4'-P energy: -6.737
bonds (distance) P-C4' energy: -9.967
flat angles C4'-P-C4' energy: -12.204
flat angles P-C4'-P energy: -6.447
tors. eta vs tors. theta energy: 0.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -66.619024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.619024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.619024 (E_RNA)
where:
Base-Base interactions energy: -37.068
where: short stacking energy: -20.291
Base-Backbone interact. energy: -0.713
local terms energy: -28.838136
where:
bonds (distance) C4'-P energy: -8.339
bonds (distance) P-C4' energy: -7.836
flat angles C4'-P-C4' energy: -7.434
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: 1.969
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: 6
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -63.768773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.768773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.768773 (E_RNA)
where:
Base-Base interactions energy: -18.824
where: short stacking energy: -18.036
Base-Backbone interact. energy: -0.860
local terms energy: -44.084836
where:
bonds (distance) C4'-P energy: -8.065
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -2.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -70.613437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.613437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.613437 (E_RNA)
where:
Base-Base interactions energy: -35.197
where: short stacking energy: -13.455
Base-Backbone interact. energy: 0.685
local terms energy: -36.101662
where:
bonds (distance) C4'-P energy: -9.486
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -9.772
flat angles P-C4'-P energy: -3.897
tors. eta vs tors. theta energy: -0.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -54.758417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.758417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.758417 (E_RNA)
where:
Base-Base interactions energy: -23.103
where: short stacking energy: -17.872
Base-Backbone interact. energy: -0.339
local terms energy: -31.316383
where:
bonds (distance) C4'-P energy: -8.078
bonds (distance) P-C4' energy: -9.495
flat angles C4'-P-C4' energy: -10.663
flat angles P-C4'-P energy: -3.256
tors. eta vs tors. theta energy: 0.176
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: 461
Temperature: 1.350000
Total energy: -57.563221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.563221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.563221 (E_RNA)
where:
Base-Base interactions energy: -21.676
where: short stacking energy: -16.726
Base-Backbone interact. energy: -0.018
local terms energy: -35.869022
where:
bonds (distance) C4'-P energy: -4.123
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -10.112
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: 0.350
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: 1, replica: 5
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -135.202903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.202903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.202903 (E_RNA)
where:
Base-Base interactions energy: -87.682
where: short stacking energy: -40.096
Base-Backbone interact. energy: 0.254
local terms energy: -47.775159
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -9.090
flat angles P-C4'-P energy: -3.631
tors. eta vs tors. theta energy: -11.387
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: 7
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -83.011518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.011518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.011518 (E_RNA)
where:
Base-Base interactions energy: -42.988
where: short stacking energy: -31.577
Base-Backbone interact. energy: -0.137
local terms energy: -39.886397
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -7.719
flat angles P-C4'-P energy: -4.457
tors. eta vs tors. theta energy: -6.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -80.954450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.954450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.954450 (E_RNA)
where:
Base-Base interactions energy: -43.976
where: short stacking energy: -19.874
Base-Backbone interact. energy: -0.180
local terms energy: -36.797901
where:
bonds (distance) C4'-P energy: -7.753
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -8.807
flat angles P-C4'-P energy: -8.588
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: 4, replica: 4
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -79.206611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.206611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.206611 (E_RNA)
where:
Base-Base interactions energy: -31.582
where: short stacking energy: -31.582
Base-Backbone interact. energy: -0.023
local terms energy: -47.601860
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -9.496
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -7.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -76.374739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.374739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.374739 (E_RNA)
where:
Base-Base interactions energy: -33.511
where: short stacking energy: -19.225
Base-Backbone interact. energy: -0.107
local terms energy: -42.756598
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -10.275
flat angles P-C4'-P energy: -3.714
tors. eta vs tors. theta energy: -4.149
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: 2
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -67.659961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.659961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.659961 (E_RNA)
where:
Base-Base interactions energy: -25.616
where: short stacking energy: -20.765
Base-Backbone interact. energy: -0.333
local terms energy: -41.711466
where:
bonds (distance) C4'-P energy: -7.036
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -8.686
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -7.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -76.071529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.071529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.071529 (E_RNA)
where:
Base-Base interactions energy: -36.912
where: short stacking energy: -19.569
Base-Backbone interact. energy: -0.042
local terms energy: -39.116651
where:
bonds (distance) C4'-P energy: -5.864
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -6.942
flat angles P-C4'-P energy: -7.806
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: 8, replica: 6
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -62.327223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.327223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.327223 (E_RNA)
where:
Base-Base interactions energy: -31.835
where: short stacking energy: -15.122
Base-Backbone interact. energy: -0.297
local terms energy: -30.196004
where:
bonds (distance) C4'-P energy: -8.587
bonds (distance) P-C4' energy: -10.251
flat angles C4'-P-C4' energy: -9.554
flat angles P-C4'-P energy: -5.974
tors. eta vs tors. theta energy: 4.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -60.612395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.612395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.612395 (E_RNA)
where:
Base-Base interactions energy: -20.528
where: short stacking energy: -17.984
Base-Backbone interact. energy: -0.019
local terms energy: -40.065628
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -5.434
flat angles C4'-P-C4' energy: -10.059
flat angles P-C4'-P energy: -7.491
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: 10, replica: 1
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -56.114801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.114801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.114801 (E_RNA)
where:
Base-Base interactions energy: -18.402
where: short stacking energy: -12.141
Base-Backbone interact. energy: -0.167
local terms energy: -37.545925
where:
bonds (distance) C4'-P energy: -8.819
bonds (distance) P-C4' energy: -9.345
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -2.873
tors. eta vs tors. theta energy: -3.311
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: 5
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -139.660767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.660767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.660767 (E_RNA)
where:
Base-Base interactions energy: -92.308
where: short stacking energy: -33.886
Base-Backbone interact. energy: -0.076
local terms energy: -47.276837
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -10.576
flat angles C4'-P-C4' energy: -9.031
flat angles P-C4'-P energy: -6.325
tors. eta vs tors. theta energy: -9.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -88.260121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.260121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.260121 (E_RNA)
where:
Base-Base interactions energy: -40.073
where: short stacking energy: -33.938
Base-Backbone interact. energy: -0.061
local terms energy: -48.125903
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -9.287
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -9.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -88.979443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.979443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.979443 (E_RNA)
where:
Base-Base interactions energy: -40.912
where: short stacking energy: -23.395
Base-Backbone interact. energy: -0.012
local terms energy: -48.055711
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -9.727
flat angles P-C4'-P energy: -8.291
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: 4, replica: 10
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -98.979098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.979098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.979098 (E_RNA)
where:
Base-Base interactions energy: -52.778
where: short stacking energy: -28.901
Base-Backbone interact. energy: -0.285
local terms energy: -45.916286
where:
bonds (distance) C4'-P energy: -10.504
bonds (distance) P-C4' energy: -11.610
flat angles C4'-P-C4' energy: -11.573
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -6.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -73.212126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.212126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.212126 (E_RNA)
where:
Base-Base interactions energy: -36.771
where: short stacking energy: -23.924
Base-Backbone interact. energy: -0.072
local terms energy: -36.369263
where:
bonds (distance) C4'-P energy: -10.055
bonds (distance) P-C4' energy: -9.342
flat angles C4'-P-C4' energy: -5.601
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -3.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -68.302391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.302391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.302391 (E_RNA)
where:
Base-Base interactions energy: -25.256
where: short stacking energy: -23.038
Base-Backbone interact. energy: -0.002
local terms energy: -43.044810
where:
bonds (distance) C4'-P energy: -6.567
bonds (distance) P-C4' energy: -10.197
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -74.051541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.051541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.051541 (E_RNA)
where:
Base-Base interactions energy: -33.774
where: short stacking energy: -23.395
Base-Backbone interact. energy: -0.087
local terms energy: -40.190395
where:
bonds (distance) C4'-P energy: -10.685
bonds (distance) P-C4' energy: -7.232
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -5.692
tors. eta vs tors. theta energy: -6.282
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: 8
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -72.012240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.012240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.012240 (E_RNA)
where:
Base-Base interactions energy: -33.412
where: short stacking energy: -20.139
Base-Backbone interact. energy: -0.389
local terms energy: -38.211212
where:
bonds (distance) C4'-P energy: -8.944
bonds (distance) P-C4' energy: -8.836
flat angles C4'-P-C4' energy: -8.142
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: -5.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -55.053779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.053779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.053779 (E_RNA)
where:
Base-Base interactions energy: -20.883
where: short stacking energy: -8.766
Base-Backbone interact. energy: -0.138
local terms energy: -34.033375
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -12.054
flat angles C4'-P-C4' energy: -9.661
flat angles P-C4'-P energy: -4.977
tors. eta vs tors. theta energy: 2.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -78.190916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.190916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.190916 (E_RNA)
where:
Base-Base interactions energy: -30.676
where: short stacking energy: -23.569
Base-Backbone interact. energy: -0.272
local terms energy: -47.243837
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -9.473
flat angles C4'-P-C4' energy: -10.820
flat angles P-C4'-P energy: -8.458
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: 5
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -147.727189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.727189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.727189 (E_RNA)
where:
Base-Base interactions energy: -96.457
where: short stacking energy: -42.163
Base-Backbone interact. energy: -0.475
local terms energy: -50.795547
where:
bonds (distance) C4'-P energy: -11.427
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -10.739
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: -10.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -81.542345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.542345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.542345 (E_RNA)
where:
Base-Base interactions energy: -38.196
where: short stacking energy: -29.791
Base-Backbone interact. energy: -0.011
local terms energy: -43.335081
where:
bonds (distance) C4'-P energy: -9.767
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -11.524
flat angles P-C4'-P energy: -8.085
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: 3, replica: 10
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -114.312215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.312215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.312215 (E_RNA)
where:
Base-Base interactions energy: -61.970
where: short stacking energy: -37.256
Base-Backbone interact. energy: -0.002
local terms energy: -52.340360
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -4.838
tors. eta vs tors. theta energy: -11.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -85.893077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.893077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.893077 (E_RNA)
where:
Base-Base interactions energy: -39.963
where: short stacking energy: -27.347
Base-Backbone interact. energy: -0.003
local terms energy: -45.927370
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -9.618
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -7.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -72.228577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.228577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.228577 (E_RNA)
where:
Base-Base interactions energy: -24.670
where: short stacking energy: -24.670
Base-Backbone interact. energy: -0.278
local terms energy: -47.280612
where:
bonds (distance) C4'-P energy: -9.280
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -10.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -68.005179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.005179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.005179 (E_RNA)
where:
Base-Base interactions energy: -25.754
where: short stacking energy: -6.916
Base-Backbone interact. energy: -0.601
local terms energy: -41.650164
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -9.831
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -2.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -61.923726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.923726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.923726 (E_RNA)
where:
Base-Base interactions energy: -17.559
where: short stacking energy: -13.533
Base-Backbone interact. energy: -0.054
local terms energy: -44.310583
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -8.952
flat angles P-C4'-P energy: -5.057
tors. eta vs tors. theta energy: -5.740
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: 2
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -59.807717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.807717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.807717 (E_RNA)
where:
Base-Base interactions energy: -28.839
where: short stacking energy: -24.797
Base-Backbone interact. energy: -0.068
local terms energy: -30.901267
where:
bonds (distance) C4'-P energy: -6.956
bonds (distance) P-C4' energy: -7.211
flat angles C4'-P-C4' energy: -3.081
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -7.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -55.709932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.709932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.709932 (E_RNA)
where:
Base-Base interactions energy: -22.693
where: short stacking energy: -22.693
Base-Backbone interact. energy: 1.850
local terms energy: -34.867419
where:
bonds (distance) C4'-P energy: -8.431
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: 3.187
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: 10, replica: 6
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -59.331694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.331694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.331694 (E_RNA)
where:
Base-Base interactions energy: -25.704
where: short stacking energy: -16.749
Base-Backbone interact. energy: 1.886
local terms energy: -35.514097
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -10.063
flat angles C4'-P-C4' energy: -11.368
flat angles P-C4'-P energy: -4.943
tors. eta vs tors. theta energy: 0.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -145.259700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.259700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.259700 (E_RNA)
where:
Base-Base interactions energy: -93.865
where: short stacking energy: -38.028
Base-Backbone interact. energy: -0.176
local terms energy: -51.219280
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -8.479
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -9.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -114.459005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.459005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.459005 (E_RNA)
where:
Base-Base interactions energy: -67.037
where: short stacking energy: -36.505
Base-Backbone interact. energy: -0.119
local terms energy: -47.302382
where:
bonds (distance) C4'-P energy: -9.191
bonds (distance) P-C4' energy: -10.499
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -9.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -82.977988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.977988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.977988 (E_RNA)
where:
Base-Base interactions energy: -38.267
where: short stacking energy: -30.394
Base-Backbone interact. energy: -0.075
local terms energy: -44.635439
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -7.118
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -7.517
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: 3
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -73.015624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.015624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.015624 (E_RNA)
where:
Base-Base interactions energy: -30.027
where: short stacking energy: -30.027
Base-Backbone interact. energy: -0.001
local terms energy: -42.988166
where:
bonds (distance) C4'-P energy: -9.667
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -8.983
flat angles P-C4'-P energy: -8.471
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: 5, replica: 7
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -75.856467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.856467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.856467 (E_RNA)
where:
Base-Base interactions energy: -32.911
where: short stacking energy: -27.861
Base-Backbone interact. energy: -0.001
local terms energy: -42.944524
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -10.219
flat angles P-C4'-P energy: -3.157
tors. eta vs tors. theta energy: -3.783
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: 6, replica: 8
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -69.649825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.649825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.649825 (E_RNA)
where:
Base-Base interactions energy: -26.069
where: short stacking energy: -25.410
Base-Backbone interact. energy: 0.540
local terms energy: -44.120899
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -9.704
flat angles P-C4'-P energy: -5.902
tors. eta vs tors. theta energy: -5.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -68.231831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.231831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.231831 (E_RNA)
where:
Base-Base interactions energy: -33.306
where: short stacking energy: -31.518
Base-Backbone interact. energy: -0.200
local terms energy: -34.725455
where:
bonds (distance) C4'-P energy: -2.822
bonds (distance) P-C4' energy: -8.729
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -6.050
tors. eta vs tors. theta energy: -5.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -60.499743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.499743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.499743 (E_RNA)
where:
Base-Base interactions energy: -27.680
where: short stacking energy: -11.376
Base-Backbone interact. energy: -0.634
local terms energy: -32.185344
where:
bonds (distance) C4'-P energy: -5.764
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -10.378
flat angles P-C4'-P energy: -4.279
tors. eta vs tors. theta energy: 1.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -54.350217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.350217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.350217 (E_RNA)
where:
Base-Base interactions energy: -18.731
where: short stacking energy: -13.590
Base-Backbone interact. energy: -0.472
local terms energy: -35.147845
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -8.311
flat angles C4'-P-C4' energy: -11.880
flat angles P-C4'-P energy: -5.849
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: 10, replica: 6
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -49.788765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.788765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.788765 (E_RNA)
where:
Base-Base interactions energy: -22.172
where: short stacking energy: -7.083
Base-Backbone interact. energy: -0.183
local terms energy: -27.433715
where:
bonds (distance) C4'-P energy: -9.080
bonds (distance) P-C4' energy: -9.355
flat angles C4'-P-C4' energy: -9.638
flat angles P-C4'-P energy: -3.881
tors. eta vs tors. theta energy: 4.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -143.920937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.920937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.920937 (E_RNA)
where:
Base-Base interactions energy: -94.300
where: short stacking energy: -41.935
Base-Backbone interact. energy: -0.229
local terms energy: -49.391255
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -10.738
flat angles C4'-P-C4' energy: -10.335
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -9.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -112.980766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.980766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.980766 (E_RNA)
where:
Base-Base interactions energy: -69.976
where: short stacking energy: -33.195
Base-Backbone interact. energy: -0.018
local terms energy: -42.987065
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -2.718
tors. eta vs tors. theta energy: -6.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -78.729413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.729413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.729413 (E_RNA)
where:
Base-Base interactions energy: -30.960
where: short stacking energy: -30.960
Base-Backbone interact. energy: -0.103
local terms energy: -47.666650
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -12.287
flat angles C4'-P-C4' energy: -9.728
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -5.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -82.821236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.821236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.821236 (E_RNA)
where:
Base-Base interactions energy: -42.412
where: short stacking energy: -22.116
Base-Backbone interact. energy: -0.095
local terms energy: -40.314897
where:
bonds (distance) C4'-P energy: -10.976
bonds (distance) P-C4' energy: -10.978
flat angles C4'-P-C4' energy: -8.882
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: 0.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -70.877705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.877705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.877705 (E_RNA)
where:
Base-Base interactions energy: -27.055
where: short stacking energy: -26.774
Base-Backbone interact. energy: -0.126
local terms energy: -43.696447
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -10.803
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: -6.041
tors. eta vs tors. theta energy: -4.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -81.697504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.697504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.697504 (E_RNA)
where:
Base-Base interactions energy: -41.035
where: short stacking energy: -29.046
Base-Backbone interact. energy: -0.187
local terms energy: -40.476103
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -3.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -68.638333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.638333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.638333 (E_RNA)
where:
Base-Base interactions energy: -25.890
where: short stacking energy: -25.890
Base-Backbone interact. energy: -0.109
local terms energy: -42.639789
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -10.533
flat angles P-C4'-P energy: -3.157
tors. eta vs tors. theta energy: -8.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -63.879605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.879605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.879605 (E_RNA)
where:
Base-Base interactions energy: -25.153
where: short stacking energy: -21.681
Base-Backbone interact. energy: 0.338
local terms energy: -39.064831
where:
bonds (distance) C4'-P energy: -9.239
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -10.121
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -7.623
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: 9, replica: 6
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -72.711456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.711456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.711456 (E_RNA)
where:
Base-Base interactions energy: -31.646
where: short stacking energy: -15.369
Base-Backbone interact. energy: -0.134
local terms energy: -40.931456
where:
bonds (distance) C4'-P energy: -8.492
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -7.242
flat angles P-C4'-P energy: -6.325
tors. eta vs tors. theta energy: -8.686
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: 466
Temperature: 1.350000
Total energy: -54.485895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.485895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.485895 (E_RNA)
where:
Base-Base interactions energy: -14.890
where: short stacking energy: -14.890
Base-Backbone interact. energy: -0.096
local terms energy: -39.500020
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -4.162
tors. eta vs tors. theta energy: -0.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -145.628789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.628789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.628789 (E_RNA)
where:
Base-Base interactions energy: -93.554
where: short stacking energy: -43.263
Base-Backbone interact. energy: -0.028
local terms energy: -52.046972
where:
bonds (distance) C4'-P energy: -9.990
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -10.411
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -11.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -100.382215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.382215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.382215 (E_RNA)
where:
Base-Base interactions energy: -52.423
where: short stacking energy: -29.283
Base-Backbone interact. energy: 1.131
local terms energy: -49.090381
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -8.771
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -6.876
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: 9
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -83.216330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.216330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.216330 (E_RNA)
where:
Base-Base interactions energy: -38.470
where: short stacking energy: -31.404
Base-Backbone interact. energy: -0.081
local terms energy: -44.665123
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -8.946
flat angles P-C4'-P energy: -7.843
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: 4, replica: 3
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -68.100625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.100625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.100625 (E_RNA)
where:
Base-Base interactions energy: -35.095
where: short stacking energy: -14.807
Base-Backbone interact. energy: -0.156
local terms energy: -32.849911
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -7.876
flat angles P-C4'-P energy: -3.465
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: 5, replica: 8
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -85.041979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.041979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.041979 (E_RNA)
where:
Base-Base interactions energy: -43.626
where: short stacking energy: -36.581
Base-Backbone interact. energy: -0.005
local terms energy: -41.411810
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -7.386
flat angles C4'-P-C4' energy: -6.847
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -9.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -62.871865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.871865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.871865 (E_RNA)
where:
Base-Base interactions energy: -17.960
where: short stacking energy: -15.110
Base-Backbone interact. energy: -0.139
local terms energy: -44.773268
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -3.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -67.214258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.214258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.214258 (E_RNA)
where:
Base-Base interactions energy: -30.375
where: short stacking energy: -29.438
Base-Backbone interact. energy: -0.005
local terms energy: -36.834029
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -9.880
flat angles C4'-P-C4' energy: -9.079
flat angles P-C4'-P energy: -4.336
tors. eta vs tors. theta energy: -3.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -66.427118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.427118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.427118 (E_RNA)
where:
Base-Base interactions energy: -26.197
where: short stacking energy: -21.596
Base-Backbone interact. energy: -2.179
local terms energy: -38.051262
where:
bonds (distance) C4'-P energy: -7.497
bonds (distance) P-C4' energy: -11.444
flat angles C4'-P-C4' energy: -10.075
flat angles P-C4'-P energy: -5.617
tors. eta vs tors. theta energy: -3.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -67.362847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.362847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.362847 (E_RNA)
where:
Base-Base interactions energy: -27.512
where: short stacking energy: -20.048
Base-Backbone interact. energy: -0.003
local terms energy: -39.848392
where:
bonds (distance) C4'-P energy: -10.126
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -7.970
flat angles P-C4'-P energy: -4.020
tors. eta vs tors. theta energy: -4.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -59.546377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.546377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.546377 (E_RNA)
where:
Base-Base interactions energy: -17.667
where: short stacking energy: -14.400
Base-Backbone interact. energy: -0.180
local terms energy: -41.699591
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -10.039
flat angles C4'-P-C4' energy: -10.031
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -2.322
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: 1, replica: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -143.336374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.336374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.336374 (E_RNA)
where:
Base-Base interactions energy: -94.754
where: short stacking energy: -35.747
Base-Backbone interact. energy: -0.089
local terms energy: -48.492664
where:
bonds (distance) C4'-P energy: -9.402
bonds (distance) P-C4' energy: -11.187
flat angles C4'-P-C4' energy: -10.589
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -8.743
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: 2, replica: 10
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -99.596857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.596857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.596857 (E_RNA)
where:
Base-Base interactions energy: -53.529
where: short stacking energy: -36.304
Base-Backbone interact. energy: -0.118
local terms energy: -45.949867
where:
bonds (distance) C4'-P energy: -5.901
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -10.446
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: -9.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -107.959557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.959557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.959557 (E_RNA)
where:
Base-Base interactions energy: -64.727
where: short stacking energy: -27.594
Base-Backbone interact. energy: -0.196
local terms energy: -43.036388
where:
bonds (distance) C4'-P energy: -8.211
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -9.629
flat angles P-C4'-P energy: -7.284
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: 4, replica: 9
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -81.506334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.506334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.506334 (E_RNA)
where:
Base-Base interactions energy: -44.848
where: short stacking energy: -22.186
Base-Backbone interact. energy: -0.263
local terms energy: -36.394504
where:
bonds (distance) C4'-P energy: -9.151
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -5.176
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -68.112749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.112749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.112749 (E_RNA)
where:
Base-Base interactions energy: -28.048
where: short stacking energy: -22.601
Base-Backbone interact. energy: 0.412
local terms energy: -40.477366
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -9.408
flat angles C4'-P-C4' energy: -10.909
flat angles P-C4'-P energy: -5.509
tors. eta vs tors. theta energy: -1.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -65.847302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.847302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.847302 (E_RNA)
where:
Base-Base interactions energy: -21.462
where: short stacking energy: -18.214
Base-Backbone interact. energy: -0.005
local terms energy: -44.380148
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -8.279
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -7.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -80.390959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.390959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.390959 (E_RNA)
where:
Base-Base interactions energy: -33.574
where: short stacking energy: -26.967
Base-Backbone interact. energy: -0.043
local terms energy: -46.773324
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -8.021
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -8.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -56.959587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.959587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.959587 (E_RNA)
where:
Base-Base interactions energy: -24.837
where: short stacking energy: -9.287
Base-Backbone interact. energy: -0.094
local terms energy: -32.028271
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -10.591
flat angles C4'-P-C4' energy: -6.939
flat angles P-C4'-P energy: -2.788
tors. eta vs tors. theta energy: -0.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -58.114553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.114553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.114553 (E_RNA)
where:
Base-Base interactions energy: -19.554
where: short stacking energy: -16.197
Base-Backbone interact. energy: -0.220
local terms energy: -38.340866
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -9.897
flat angles P-C4'-P energy: -3.935
tors. eta vs tors. theta energy: -2.725
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: 1
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -59.446569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.446569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.446569 (E_RNA)
where:
Base-Base interactions energy: -17.477
where: short stacking energy: -15.338
Base-Backbone interact. energy: -0.289
local terms energy: -41.681459
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -0.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -140.138364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.138364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.138364 (E_RNA)
where:
Base-Base interactions energy: -94.419
where: short stacking energy: -41.766
Base-Backbone interact. energy: -0.674
local terms energy: -45.045284
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -9.917
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -4.396
tors. eta vs tors. theta energy: -8.330
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: 3
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -134.059865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.059865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.059865 (E_RNA)
where:
Base-Base interactions energy: -88.132
where: short stacking energy: -32.691
Base-Backbone interact. energy: -1.127
local terms energy: -44.800902
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -10.559
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -3.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -103.924327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.924327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.924327 (E_RNA)
where:
Base-Base interactions energy: -56.328
where: short stacking energy: -39.804
Base-Backbone interact. energy: -0.179
local terms energy: -47.416407
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -10.076
flat angles P-C4'-P energy: -5.113
tors. eta vs tors. theta energy: -7.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -78.249928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.249928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.249928 (E_RNA)
where:
Base-Base interactions energy: -32.657
where: short stacking energy: -22.335
Base-Backbone interact. energy: 0.017
local terms energy: -45.609901
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -10.118
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -3.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -67.635403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.635403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.635403 (E_RNA)
where:
Base-Base interactions energy: -26.692
where: short stacking energy: -19.730
Base-Backbone interact. energy: 0.378
local terms energy: -41.321482
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -4.819
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: 6, replica: 6
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -64.241133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.241133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.241133 (E_RNA)
where:
Base-Base interactions energy: -21.797
where: short stacking energy: -21.018
Base-Backbone interact. energy: -0.194
local terms energy: -42.249846
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -8.986
flat angles C4'-P-C4' energy: -9.529
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -4.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -74.440081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.440081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.440081 (E_RNA)
where:
Base-Base interactions energy: -34.030
where: short stacking energy: -17.375
Base-Backbone interact. energy: -1.220
local terms energy: -39.190374
where:
bonds (distance) C4'-P energy: -10.176
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -11.442
flat angles P-C4'-P energy: -5.768
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: 8, replica: 2
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -65.156446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.156446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.156446 (E_RNA)
where:
Base-Base interactions energy: -30.624
where: short stacking energy: -19.522
Base-Backbone interact. energy: 1.063
local terms energy: -35.594945
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -7.429
flat angles C4'-P-C4' energy: -8.842
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: 0.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -55.154385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.154385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.154385 (E_RNA)
where:
Base-Base interactions energy: -12.484
where: short stacking energy: -11.454
Base-Backbone interact. energy: -0.014
local terms energy: -42.656796
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -4.887
tors. eta vs tors. theta energy: -0.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -51.773674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.773674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.773674 (E_RNA)
where:
Base-Base interactions energy: -14.912
where: short stacking energy: -14.912
Base-Backbone interact. energy: -0.013
local terms energy: -36.848320
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -11.811
flat angles C4'-P-C4' energy: -8.394
flat angles P-C4'-P energy: -5.414
tors. eta vs tors. theta energy: -2.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -143.814724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.814724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.814724 (E_RNA)
where:
Base-Base interactions energy: -90.149
where: short stacking energy: -30.176
Base-Backbone interact. energy: -0.502
local terms energy: -53.163960
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -9.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -141.770076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.770076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.770076 (E_RNA)
where:
Base-Base interactions energy: -94.870
where: short stacking energy: -43.178
Base-Backbone interact. energy: -0.182
local terms energy: -46.718122
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -9.782
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -4.569
tors. eta vs tors. theta energy: -9.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -79.220862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.220862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.220862 (E_RNA)
where:
Base-Base interactions energy: -36.074
where: short stacking energy: -27.328
Base-Backbone interact. energy: -0.022
local terms energy: -43.124884
where:
bonds (distance) C4'-P energy: -7.441
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -1.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -97.242323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.242323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.242323 (E_RNA)
where:
Base-Base interactions energy: -56.520
where: short stacking energy: -32.015
Base-Backbone interact. energy: -1.138
local terms energy: -39.584470
where:
bonds (distance) C4'-P energy: -10.814
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -9.236
flat angles P-C4'-P energy: -2.614
tors. eta vs tors. theta energy: -3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -71.085423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.085423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.085423 (E_RNA)
where:
Base-Base interactions energy: -26.583
where: short stacking energy: -24.959
Base-Backbone interact. energy: -0.506
local terms energy: -43.996512
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -7.843
flat angles C4'-P-C4' energy: -11.043
flat angles P-C4'-P energy: -5.815
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: 6, replica: 9
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -63.119868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.119868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.119868 (E_RNA)
where:
Base-Base interactions energy: -28.544
where: short stacking energy: -5.199
Base-Backbone interact. energy: -0.679
local terms energy: -33.896321
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -9.987
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: 5.276
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: 470
Temperature: 1.200000
Total energy: -62.701854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.701854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.701854 (E_RNA)
where:
Base-Base interactions energy: -27.926
where: short stacking energy: -13.893
Base-Backbone interact. energy: 0.566
local terms energy: -35.341110
where:
bonds (distance) C4'-P energy: -10.567
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -9.048
flat angles P-C4'-P energy: -3.789
tors. eta vs tors. theta energy: -0.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -66.902546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.902546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.902546 (E_RNA)
where:
Base-Base interactions energy: -28.085
where: short stacking energy: -21.799
Base-Backbone interact. energy: -1.332
local terms energy: -37.485587
where:
bonds (distance) C4'-P energy: -9.510
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -6.651
flat angles P-C4'-P energy: -5.781
tors. eta vs tors. theta energy: -3.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -59.592368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.592368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.592368 (E_RNA)
where:
Base-Base interactions energy: -19.253
where: short stacking energy: -19.253
Base-Backbone interact. energy: -0.000
local terms energy: -40.339498
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -10.009
flat angles P-C4'-P energy: -4.004
tors. eta vs tors. theta energy: -2.110
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: 7
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -63.167194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.167194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.167194 (E_RNA)
where:
Base-Base interactions energy: -25.505
where: short stacking energy: -17.173
Base-Backbone interact. energy: -0.021
local terms energy: -37.641694
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -10.158
flat angles C4'-P-C4' energy: -9.323
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: 1.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -147.914580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.914580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.914580 (E_RNA)
where:
Base-Base interactions energy: -93.718
where: short stacking energy: -37.097
Base-Backbone interact. energy: -1.009
local terms energy: -53.188326
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -7.145
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -11.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -132.179157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.179157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.179157 (E_RNA)
where:
Base-Base interactions energy: -80.609
where: short stacking energy: -29.662
Base-Backbone interact. energy: -1.083
local terms energy: -50.486605
where:
bonds (distance) C4'-P energy: -10.612
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -12.022
flat angles P-C4'-P energy: -5.649
tors. eta vs tors. theta energy: -9.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -84.814547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.814547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.814547 (E_RNA)
where:
Base-Base interactions energy: -42.735
where: short stacking energy: -29.898
Base-Backbone interact. energy: -0.002
local terms energy: -42.077607
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -10.238
flat angles C4'-P-C4' energy: -10.242
flat angles P-C4'-P energy: -2.814
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: 4, replica: 6
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -82.478096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.478096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.478096 (E_RNA)
where:
Base-Base interactions energy: -39.636
where: short stacking energy: -22.629
Base-Backbone interact. energy: 0.232
local terms energy: -43.074167
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -8.935
flat angles C4'-P-C4' energy: -9.673
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -5.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -88.003751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.003751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.003751 (E_RNA)
where:
Base-Base interactions energy: -38.904
where: short stacking energy: -29.837
Base-Backbone interact. energy: -0.132
local terms energy: -48.968326
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -5.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -64.878118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.878118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.878118 (E_RNA)
where:
Base-Base interactions energy: -24.561
where: short stacking energy: -16.001
Base-Backbone interact. energy: -0.464
local terms energy: -39.852766
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -9.026
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: -0.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -60.375370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.375370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.375370 (E_RNA)
where:
Base-Base interactions energy: -30.297
where: short stacking energy: -11.298
Base-Backbone interact. energy: -0.227
local terms energy: -29.851132
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -9.738
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: 7.554
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: 1
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -56.810158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.810158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.810158 (E_RNA)
where:
Base-Base interactions energy: -18.736
where: short stacking energy: -18.736
Base-Backbone interact. energy: 1.494
local terms energy: -39.568330
where:
bonds (distance) C4'-P energy: -10.904
bonds (distance) P-C4' energy: -9.668
flat angles C4'-P-C4' energy: -8.139
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -3.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -64.453343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.453343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.453343 (E_RNA)
where:
Base-Base interactions energy: -24.225
where: short stacking energy: -20.905
Base-Backbone interact. energy: -0.003
local terms energy: -40.225864
where:
bonds (distance) C4'-P energy: -10.061
bonds (distance) P-C4' energy: -11.007
flat angles C4'-P-C4' energy: -7.773
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -3.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -52.936612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.936612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.936612 (E_RNA)
where:
Base-Base interactions energy: -26.918
where: short stacking energy: -14.148
Base-Backbone interact. energy: -0.043
local terms energy: -25.976111
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -11.610
flat angles C4'-P-C4' energy: 0.398
flat angles P-C4'-P energy: -2.820
tors. eta vs tors. theta energy: -0.351
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: 5
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -130.492064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.492064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.492064 (E_RNA)
where:
Base-Base interactions energy: -85.829
where: short stacking energy: -43.324
Base-Backbone interact. energy: -0.300
local terms energy: -44.363100
where:
bonds (distance) C4'-P energy: -7.967
bonds (distance) P-C4' energy: -9.217
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -8.995
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: 2, replica: 3
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -141.867044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.867044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.867044 (E_RNA)
where:
Base-Base interactions energy: -92.150
where: short stacking energy: -37.104
Base-Backbone interact. energy: -0.398
local terms energy: -49.319804
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -11.872
flat angles C4'-P-C4' energy: -8.924
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -9.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -86.667269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.667269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.667269 (E_RNA)
where:
Base-Base interactions energy: -41.452
where: short stacking energy: -24.266
Base-Backbone interact. energy: -1.603
local terms energy: -43.611668
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -4.407
flat angles P-C4'-P energy: -10.597
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: 4, replica: 6
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -94.571381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.571381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.571381 (E_RNA)
where:
Base-Base interactions energy: -47.175
where: short stacking energy: -25.004
Base-Backbone interact. energy: -0.113
local terms energy: -47.283836
where:
bonds (distance) C4'-P energy: -8.997
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -7.930
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -8.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -60.419229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.419229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.419229 (E_RNA)
where:
Base-Base interactions energy: -18.943
where: short stacking energy: -8.219
Base-Backbone interact. energy: -0.639
local terms energy: -40.836842
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -11.170
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: 3.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -71.074550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.074550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.074550 (E_RNA)
where:
Base-Base interactions energy: -25.721
where: short stacking energy: -20.113
Base-Backbone interact. energy: -0.042
local terms energy: -45.311022
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -10.052
flat angles P-C4'-P energy: -6.616
tors. eta vs tors. theta energy: -5.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -66.128419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.128419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.128419 (E_RNA)
where:
Base-Base interactions energy: -25.207
where: short stacking energy: -25.207
Base-Backbone interact. energy: -0.096
local terms energy: -40.824973
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -9.375
flat angles C4'-P-C4' energy: -6.418
flat angles P-C4'-P energy: -6.763
tors. eta vs tors. theta energy: -5.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -57.745272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.745272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.745272 (E_RNA)
where:
Base-Base interactions energy: -28.032
where: short stacking energy: -15.408
Base-Backbone interact. energy: -0.029
local terms energy: -29.684845
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -7.893
flat angles C4'-P-C4' energy: -1.064
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: -2.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -52.357659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.357659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.357659 (E_RNA)
where:
Base-Base interactions energy: -10.093
where: short stacking energy: -4.451
Base-Backbone interact. energy: -1.271
local terms energy: -40.994085
where:
bonds (distance) C4'-P energy: -10.595
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -10.095
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -1.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -51.292065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.292065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.292065 (E_RNA)
where:
Base-Base interactions energy: -15.796
where: short stacking energy: -16.396
Base-Backbone interact. energy: 0.197
local terms energy: -35.693189
where:
bonds (distance) C4'-P energy: -7.330
bonds (distance) P-C4' energy: -11.751
flat angles C4'-P-C4' energy: -5.328
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -4.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -138.187410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.187410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.187410 (E_RNA)
where:
Base-Base interactions energy: -87.206
where: short stacking energy: -34.905
Base-Backbone interact. energy: 0.069
local terms energy: -51.050501
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: -7.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -133.940446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.940446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.940446 (E_RNA)
where:
Base-Base interactions energy: -93.373
where: short stacking energy: -37.654
Base-Backbone interact. energy: 0.566
local terms energy: -41.132600
where:
bonds (distance) C4'-P energy: -7.469
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -6.532
tors. eta vs tors. theta energy: -3.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -99.410537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.410537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.410537 (E_RNA)
where:
Base-Base interactions energy: -53.885
where: short stacking energy: -23.959
Base-Backbone interact. energy: -0.087
local terms energy: -45.438907
where:
bonds (distance) C4'-P energy: -7.644
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -11.133
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -5.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -107.278641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.278641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.278641 (E_RNA)
where:
Base-Base interactions energy: -57.689
where: short stacking energy: -30.441
Base-Backbone interact. energy: -0.606
local terms energy: -48.983681
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -10.379
flat angles C4'-P-C4' energy: -9.255
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -10.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -76.840145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.840145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.840145 (E_RNA)
where:
Base-Base interactions energy: -38.275
where: short stacking energy: -24.227
Base-Backbone interact. energy: -0.065
local terms energy: -38.499914
where:
bonds (distance) C4'-P energy: -8.278
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -9.700
flat angles P-C4'-P energy: -4.032
tors. eta vs tors. theta energy: -4.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -65.728445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.728445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.728445 (E_RNA)
where:
Base-Base interactions energy: -25.246
where: short stacking energy: -23.903
Base-Backbone interact. energy: -0.016
local terms energy: -40.466554
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -8.287
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -2.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -59.761271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.761271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.761271 (E_RNA)
where:
Base-Base interactions energy: -17.492
where: short stacking energy: -17.282
Base-Backbone interact. energy: -0.103
local terms energy: -42.166484
where:
bonds (distance) C4'-P energy: -9.855
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -10.624
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -2.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -69.319900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.319900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.319900 (E_RNA)
where:
Base-Base interactions energy: -30.917
where: short stacking energy: -20.740
Base-Backbone interact. energy: -0.005
local terms energy: -38.397616
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -4.484
flat angles P-C4'-P energy: -3.554
tors. eta vs tors. theta energy: -5.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -60.968764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.968764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.968764 (E_RNA)
where:
Base-Base interactions energy: -25.308
where: short stacking energy: -18.000
Base-Backbone interact. energy: -0.097
local terms energy: -35.562975
where:
bonds (distance) C4'-P energy: -9.750
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -7.781
flat angles P-C4'-P energy: -5.953
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: 8
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -62.765584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.765584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.765584 (E_RNA)
where:
Base-Base interactions energy: -20.153
where: short stacking energy: -16.687
Base-Backbone interact. energy: -0.016
local terms energy: -42.595975
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -9.728
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -0.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -142.231145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.231145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.231145 (E_RNA)
where:
Base-Base interactions energy: -92.609
where: short stacking energy: -36.716
Base-Backbone interact. energy: -0.558
local terms energy: -49.064030
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -9.601
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -9.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -122.419254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.419254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.419254 (E_RNA)
where:
Base-Base interactions energy: -85.059
where: short stacking energy: -28.642
Base-Backbone interact. energy: -0.249
local terms energy: -37.111246
where:
bonds (distance) C4'-P energy: -8.315
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -5.535
flat angles P-C4'-P energy: -5.837
tors. eta vs tors. theta energy: -5.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -122.254845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.254845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.254845 (E_RNA)
where:
Base-Base interactions energy: -73.083
where: short stacking energy: -36.299
Base-Backbone interact. energy: -0.515
local terms energy: -48.656676
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -5.901
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -11.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -91.973490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.973490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.973490 (E_RNA)
where:
Base-Base interactions energy: -47.537
where: short stacking energy: -20.039
Base-Backbone interact. energy: -0.340
local terms energy: -44.096199
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -5.870
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -4.574
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: 5, replica: 1
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -75.880192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.880192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.880192 (E_RNA)
where:
Base-Base interactions energy: -32.533
where: short stacking energy: -12.881
Base-Backbone interact. energy: -0.134
local terms energy: -43.212768
where:
bonds (distance) C4'-P energy: -9.452
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -9.881
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: 6, replica: 10
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -71.214410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.214410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.214410 (E_RNA)
where:
Base-Base interactions energy: -30.502
where: short stacking energy: -18.320
Base-Backbone interact. energy: -1.416
local terms energy: -39.296575
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -7.929
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -1.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -55.915045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.915045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.915045 (E_RNA)
where:
Base-Base interactions energy: -17.704
where: short stacking energy: -17.704
Base-Backbone interact. energy: -0.343
local terms energy: -37.868746
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -9.224
flat angles P-C4'-P energy: -5.380
tors. eta vs tors. theta energy: -0.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -63.389464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.389464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.389464 (E_RNA)
where:
Base-Base interactions energy: -21.890
where: short stacking energy: -17.656
Base-Backbone interact. energy: -0.223
local terms energy: -41.276942
where:
bonds (distance) C4'-P energy: -8.704
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -10.481
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -1.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -59.493865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.493865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.493865 (E_RNA)
where:
Base-Base interactions energy: -15.893
where: short stacking energy: -15.893
Base-Backbone interact. energy: -0.024
local terms energy: -43.576677
where:
bonds (distance) C4'-P energy: -5.740
bonds (distance) P-C4' energy: -10.591
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -6.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -67.326555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.326555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.326555 (E_RNA)
where:
Base-Base interactions energy: -28.961
where: short stacking energy: -17.744
Base-Backbone interact. energy: -0.416
local terms energy: -37.949237
where:
bonds (distance) C4'-P energy: -5.909
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -9.254
flat angles P-C4'-P energy: -5.019
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: 3
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -145.348974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.348974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.348974 (E_RNA)
where:
Base-Base interactions energy: -94.035
where: short stacking energy: -35.115
Base-Backbone interact. energy: -0.493
local terms energy: -50.821536
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -11.184
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -9.033
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: 5
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -122.480659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.480659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.480659 (E_RNA)
where:
Base-Base interactions energy: -84.658
where: short stacking energy: -25.878
Base-Backbone interact. energy: -0.363
local terms energy: -37.459239
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -6.719
flat angles C4'-P-C4' energy: -9.541
flat angles P-C4'-P energy: -6.008
tors. eta vs tors. theta energy: -5.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -104.558530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.558530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.558530 (E_RNA)
where:
Base-Base interactions energy: -64.321
where: short stacking energy: -34.406
Base-Backbone interact. energy: -0.185
local terms energy: -40.053099
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -0.404
tors. eta vs tors. theta energy: -4.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -78.295473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.295473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.295473 (E_RNA)
where:
Base-Base interactions energy: -35.496
where: short stacking energy: -21.895
Base-Backbone interact. energy: -0.045
local terms energy: -42.754479
where:
bonds (distance) C4'-P energy: -9.328
bonds (distance) P-C4' energy: -9.277
flat angles C4'-P-C4' energy: -7.867
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -9.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -66.348369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.348369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.348369 (E_RNA)
where:
Base-Base interactions energy: -29.498
where: short stacking energy: -16.421
Base-Backbone interact. energy: -0.020
local terms energy: -36.830941
where:
bonds (distance) C4'-P energy: -10.674
bonds (distance) P-C4' energy: -11.176
flat angles C4'-P-C4' energy: -9.566
flat angles P-C4'-P energy: -6.296
tors. eta vs tors. theta energy: 0.881
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: 7
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -69.407523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.407523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.407523 (E_RNA)
where:
Base-Base interactions energy: -31.675
where: short stacking energy: -18.764
Base-Backbone interact. energy: -0.030
local terms energy: -37.703169
where:
bonds (distance) C4'-P energy: -9.262
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -10.715
flat angles P-C4'-P energy: -5.746
tors. eta vs tors. theta energy: -1.082
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: 10
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -76.041764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.041764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.041764 (E_RNA)
where:
Base-Base interactions energy: -43.170
where: short stacking energy: -26.173
Base-Backbone interact. energy: -0.101
local terms energy: -32.771214
where:
bonds (distance) C4'-P energy: -9.461
bonds (distance) P-C4' energy: -4.032
flat angles C4'-P-C4' energy: -7.678
flat angles P-C4'-P energy: -4.679
tors. eta vs tors. theta energy: -6.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -77.477227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.477227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.477227 (E_RNA)
where:
Base-Base interactions energy: -50.815
where: short stacking energy: -19.174
Base-Backbone interact. energy: -0.027
local terms energy: -26.635373
where:
bonds (distance) C4'-P energy: -4.631
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -5.620
flat angles P-C4'-P energy: -3.488
tors. eta vs tors. theta energy: -0.849
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: 8
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -61.501547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.501547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.501547 (E_RNA)
where:
Base-Base interactions energy: -13.835
where: short stacking energy: -13.835
Base-Backbone interact. energy: -0.024
local terms energy: -47.642903
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -9.179
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -4.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -52.747018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.747018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.747018 (E_RNA)
where:
Base-Base interactions energy: -10.380
where: short stacking energy: -10.380
Base-Backbone interact. energy: 0.015
local terms energy: -42.382295
where:
bonds (distance) C4'-P energy: -9.966
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -9.522
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: -3.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -128.900480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.900480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.900480 (E_RNA)
where:
Base-Base interactions energy: -83.673
where: short stacking energy: -25.953
Base-Backbone interact. energy: -0.116
local terms energy: -45.111353
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -10.173
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -5.213
tors. eta vs tors. theta energy: -6.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -129.762676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.762676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.762676 (E_RNA)
where:
Base-Base interactions energy: -82.029
where: short stacking energy: -29.121
Base-Backbone interact. energy: -0.189
local terms energy: -47.545141
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -9.100
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -7.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -111.255298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.255298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.255298 (E_RNA)
where:
Base-Base interactions energy: -70.335
where: short stacking energy: -33.722
Base-Backbone interact. energy: -0.201
local terms energy: -40.719586
where:
bonds (distance) C4'-P energy: -9.760
bonds (distance) P-C4' energy: -10.912
flat angles C4'-P-C4' energy: -9.892
flat angles P-C4'-P energy: -4.146
tors. eta vs tors. theta energy: -6.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -78.693470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.693470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.693470 (E_RNA)
where:
Base-Base interactions energy: -39.043
where: short stacking energy: -21.119
Base-Backbone interact. energy: -0.307
local terms energy: -39.343202
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -11.420
flat angles C4'-P-C4' energy: -6.837
flat angles P-C4'-P energy: -6.127
tors. eta vs tors. theta energy: -2.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -63.816077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.816077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.816077 (E_RNA)
where:
Base-Base interactions energy: -26.360
where: short stacking energy: -22.179
Base-Backbone interact. energy: -0.029
local terms energy: -37.426865
where:
bonds (distance) C4'-P energy: -8.411
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -4.982
tors. eta vs tors. theta energy: -0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -69.070701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.070701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.070701 (E_RNA)
where:
Base-Base interactions energy: -29.197
where: short stacking energy: -18.802
Base-Backbone interact. energy: -0.040
local terms energy: -39.833440
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -7.732
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -5.250
tors. eta vs tors. theta energy: -3.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -63.845678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.845678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.845678 (E_RNA)
where:
Base-Base interactions energy: -27.238
where: short stacking energy: -15.803
Base-Backbone interact. energy: 0.195
local terms energy: -36.803102
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -11.413
flat angles C4'-P-C4' energy: -6.098
flat angles P-C4'-P energy: -9.937
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: 10
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -78.836302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.836302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.836302 (E_RNA)
where:
Base-Base interactions energy: -43.305
where: short stacking energy: -15.770
Base-Backbone interact. energy: -0.732
local terms energy: -34.799746
where:
bonds (distance) C4'-P energy: -8.828
bonds (distance) P-C4' energy: -8.774
flat angles C4'-P-C4' energy: -9.197
flat angles P-C4'-P energy: -4.550
tors. eta vs tors. theta energy: -3.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -58.226645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.226645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.226645 (E_RNA)
where:
Base-Base interactions energy: -24.543
where: short stacking energy: -24.543
Base-Backbone interact. energy: -0.012
local terms energy: -33.671936
where:
bonds (distance) C4'-P energy: -7.594
bonds (distance) P-C4' energy: -7.495
flat angles C4'-P-C4' energy: -9.368
flat angles P-C4'-P energy: -6.053
tors. eta vs tors. theta energy: -3.162
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: 8
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -54.266866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.266866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.266866 (E_RNA)
where:
Base-Base interactions energy: -14.610
where: short stacking energy: -12.556
Base-Backbone interact. energy: -0.091
local terms energy: -39.566040
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -11.094
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: 0.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -121.678480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.678480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.678480 (E_RNA)
where:
Base-Base interactions energy: -77.900
where: short stacking energy: -30.893
Base-Backbone interact. energy: -0.150
local terms energy: -43.628301
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -8.643
flat angles P-C4'-P energy: -4.227
tors. eta vs tors. theta energy: -5.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -136.777117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.777117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.777117 (E_RNA)
where:
Base-Base interactions energy: -90.427
where: short stacking energy: -33.729
Base-Backbone interact. energy: 0.108
local terms energy: -46.458270
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -5.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -98.971122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.971122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.971122 (E_RNA)
where:
Base-Base interactions energy: -51.936
where: short stacking energy: -36.524
Base-Backbone interact. energy: -0.056
local terms energy: -46.979472
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -10.604
flat angles C4'-P-C4' energy: -10.815
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -5.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -72.109426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.109426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.109426 (E_RNA)
where:
Base-Base interactions energy: -26.773
where: short stacking energy: -26.773
Base-Backbone interact. energy: -0.066
local terms energy: -45.270569
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -6.856
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -8.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -87.055012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.055012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.055012 (E_RNA)
where:
Base-Base interactions energy: -38.735
where: short stacking energy: -25.580
Base-Backbone interact. energy: -0.010
local terms energy: -48.310537
where:
bonds (distance) C4'-P energy: -10.016
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -6.444
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: 2
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -66.447493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.447493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.447493 (E_RNA)
where:
Base-Base interactions energy: -19.447
where: short stacking energy: -19.447
Base-Backbone interact. energy: -0.035
local terms energy: -46.966099
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -10.606
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -3.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -63.128135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.128135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.128135 (E_RNA)
where:
Base-Base interactions energy: -22.313
where: short stacking energy: -19.856
Base-Backbone interact. energy: -0.246
local terms energy: -40.568802
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -9.749
flat angles C4'-P-C4' energy: -9.919
flat angles P-C4'-P energy: -5.866
tors. eta vs tors. theta energy: -4.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -61.822540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.822540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.822540 (E_RNA)
where:
Base-Base interactions energy: -20.424
where: short stacking energy: -20.424
Base-Backbone interact. energy: -0.059
local terms energy: -41.340142
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -11.751
flat angles C4'-P-C4' energy: -9.022
flat angles P-C4'-P energy: -5.109
tors. eta vs tors. theta energy: -5.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -65.051735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.051735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.051735 (E_RNA)
where:
Base-Base interactions energy: -31.312
where: short stacking energy: -16.067
Base-Backbone interact. energy: -0.220
local terms energy: -33.520104
where:
bonds (distance) C4'-P energy: -7.390
bonds (distance) P-C4' energy: -10.180
flat angles C4'-P-C4' energy: -9.218
flat angles P-C4'-P energy: -6.975
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: 10, replica: 8
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -58.572106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.572106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.572106 (E_RNA)
where:
Base-Base interactions energy: -23.178
where: short stacking energy: -18.493
Base-Backbone interact. energy: -0.329
local terms energy: -35.065345
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -10.585
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: 0.455
tors. eta vs tors. theta energy: -1.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -128.380179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.380179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.380179 (E_RNA)
where:
Base-Base interactions energy: -80.649
where: short stacking energy: -34.167
Base-Backbone interact. energy: -0.356
local terms energy: -47.374587
where:
bonds (distance) C4'-P energy: -9.585
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -7.850
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -8.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -123.799076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.799076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.799076 (E_RNA)
where:
Base-Base interactions energy: -74.167
where: short stacking energy: -35.994
Base-Backbone interact. energy: -0.167
local terms energy: -49.465346
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -10.159
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -9.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -122.965121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.965121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.965121 (E_RNA)
where:
Base-Base interactions energy: -76.611
where: short stacking energy: -40.753
Base-Backbone interact. energy: 0.074
local terms energy: -46.428181
where:
bonds (distance) C4'-P energy: -5.728
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -8.636
flat angles P-C4'-P energy: -6.129
tors. eta vs tors. theta energy: -13.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -78.975755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.975755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.975755 (E_RNA)
where:
Base-Base interactions energy: -32.920
where: short stacking energy: -22.721
Base-Backbone interact. energy: -0.135
local terms energy: -45.919985
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -11.374
flat angles C4'-P-C4' energy: -6.223
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -8.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -69.125529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.125529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.125529 (E_RNA)
where:
Base-Base interactions energy: -30.499
where: short stacking energy: -24.570
Base-Backbone interact. energy: -0.073
local terms energy: -38.553930
where:
bonds (distance) C4'-P energy: -9.769
bonds (distance) P-C4' energy: -9.911
flat angles C4'-P-C4' energy: -4.795
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -5.752
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: 6, replica: 6
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -69.653592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.653592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.653592 (E_RNA)
where:
Base-Base interactions energy: -29.423
where: short stacking energy: -22.592
Base-Backbone interact. energy: -0.500
local terms energy: -39.730291
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -4.413
flat angles P-C4'-P energy: -8.466
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: 7, replica: 9
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -64.689954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.689954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.689954 (E_RNA)
where:
Base-Base interactions energy: -23.730
where: short stacking energy: -21.135
Base-Backbone interact. energy: -0.024
local terms energy: -40.936065
where:
bonds (distance) C4'-P energy: -8.795
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -10.569
flat angles P-C4'-P energy: -4.396
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: 1
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -62.218689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.218689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.218689 (E_RNA)
where:
Base-Base interactions energy: -26.968
where: short stacking energy: -22.553
Base-Backbone interact. energy: -2.976
local terms energy: -32.274899
where:
bonds (distance) C4'-P energy: -9.014
bonds (distance) P-C4' energy: -8.386
flat angles C4'-P-C4' energy: -9.660
flat angles P-C4'-P energy: -5.011
tors. eta vs tors. theta energy: -0.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -61.998515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.998515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.998515 (E_RNA)
where:
Base-Base interactions energy: -21.512
where: short stacking energy: -16.833
Base-Backbone interact. energy: -0.187
local terms energy: -40.299372
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -9.951
flat angles C4'-P-C4' energy: -10.022
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: -2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -63.781176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.781176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.781176 (E_RNA)
where:
Base-Base interactions energy: -34.279
where: short stacking energy: -16.624
Base-Backbone interact. energy: -0.053
local terms energy: -29.448922
where:
bonds (distance) C4'-P energy: -6.117
bonds (distance) P-C4' energy: -10.584
flat angles C4'-P-C4' energy: -6.971
flat angles P-C4'-P energy: -3.667
tors. eta vs tors. theta energy: -2.111
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: 3
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -116.106437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.106437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.106437 (E_RNA)
where:
Base-Base interactions energy: -66.501
where: short stacking energy: -33.263
Base-Backbone interact. energy: -0.054
local terms energy: -49.551739
where:
bonds (distance) C4'-P energy: -7.879
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -8.466
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: 2, replica: 5
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -113.319049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.319049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.319049 (E_RNA)
where:
Base-Base interactions energy: -66.345
where: short stacking energy: -31.564
Base-Backbone interact. energy: -0.214
local terms energy: -46.760446
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -11.131
flat angles P-C4'-P energy: -5.908
tors. eta vs tors. theta energy: -7.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -111.517597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.517597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.517597 (E_RNA)
where:
Base-Base interactions energy: -66.412
where: short stacking energy: -31.930
Base-Backbone interact. energy: -0.894
local terms energy: -44.211595
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -5.039
flat angles P-C4'-P energy: -4.691
tors. eta vs tors. theta energy: -9.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -85.129685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.129685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.129685 (E_RNA)
where:
Base-Base interactions energy: -36.543
where: short stacking energy: -28.467
Base-Backbone interact. energy: -0.038
local terms energy: -48.548530
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -9.319
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -8.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -73.457441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.457441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.457441 (E_RNA)
where:
Base-Base interactions energy: -30.307
where: short stacking energy: -19.569
Base-Backbone interact. energy: -0.145
local terms energy: -43.005207
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -10.203
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -64.475675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.475675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.475675 (E_RNA)
where:
Base-Base interactions energy: -25.229
where: short stacking energy: -18.444
Base-Backbone interact. energy: -0.138
local terms energy: -39.109468
where:
bonds (distance) C4'-P energy: -10.176
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -8.889
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -0.247
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: 6
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -63.873905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.873905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.873905 (E_RNA)
where:
Base-Base interactions energy: -26.226
where: short stacking energy: -21.264
Base-Backbone interact. energy: -0.020
local terms energy: -37.628786
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -9.756
flat angles C4'-P-C4' energy: -9.552
flat angles P-C4'-P energy: -3.539
tors. eta vs tors. theta energy: -3.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -63.539068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.539068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.539068 (E_RNA)
where:
Base-Base interactions energy: -24.345
where: short stacking energy: -22.542
Base-Backbone interact. energy: 0.433
local terms energy: -39.626490
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -7.461
flat angles C4'-P-C4' energy: -9.843
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: -4.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -57.021913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.021913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.021913 (E_RNA)
where:
Base-Base interactions energy: -18.783
where: short stacking energy: -10.098
Base-Backbone interact. energy: -0.094
local terms energy: -38.144079
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -7.835
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: 1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -51.573824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.573824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.573824 (E_RNA)
where:
Base-Base interactions energy: -20.335
where: short stacking energy: -16.645
Base-Backbone interact. energy: -1.138
local terms energy: -30.100247
where:
bonds (distance) C4'-P energy: -9.412
bonds (distance) P-C4' energy: -7.459
flat angles C4'-P-C4' energy: -6.200
flat angles P-C4'-P energy: -6.450
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: 1, replica: 3
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -134.459857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.459857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.459857 (E_RNA)
where:
Base-Base interactions energy: -83.926
where: short stacking energy: -41.630
Base-Backbone interact. energy: -0.095
local terms energy: -50.438724
where:
bonds (distance) C4'-P energy: -7.318
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -12.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -107.571826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.571826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.571826 (E_RNA)
where:
Base-Base interactions energy: -57.159
where: short stacking energy: -25.722
Base-Backbone interact. energy: -1.353
local terms energy: -49.060412
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -3.695
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: 4
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -91.033998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.033998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.033998 (E_RNA)
where:
Base-Base interactions energy: -49.178
where: short stacking energy: -27.253
Base-Backbone interact. energy: -0.451
local terms energy: -41.404865
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -9.548
flat angles C4'-P-C4' energy: -9.958
flat angles P-C4'-P energy: -2.435
tors. eta vs tors. theta energy: -7.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -81.308499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.308499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.308499 (E_RNA)
where:
Base-Base interactions energy: -34.203
where: short stacking energy: -23.376
Base-Backbone interact. energy: -0.010
local terms energy: -47.096046
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -11.045
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -8.000
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: 5, replica: 7
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -86.488851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.488851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.488851 (E_RNA)
where:
Base-Base interactions energy: -47.998
where: short stacking energy: -25.612
Base-Backbone interact. energy: -0.066
local terms energy: -38.424988
where:
bonds (distance) C4'-P energy: -8.775
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -7.800
flat angles P-C4'-P energy: -5.952
tors. eta vs tors. theta energy: -4.359
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: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -66.605895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.605895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.605895 (E_RNA)
where:
Base-Base interactions energy: -29.024
where: short stacking energy: -18.822
Base-Backbone interact. energy: -0.183
local terms energy: -37.399354
where:
bonds (distance) C4'-P energy: -6.671
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -5.644
tors. eta vs tors. theta energy: -0.413
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: 1
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -75.218946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.218946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.218946 (E_RNA)
where:
Base-Base interactions energy: -38.136
where: short stacking energy: -19.339
Base-Backbone interact. energy: -0.035
local terms energy: -37.047654
where:
bonds (distance) C4'-P energy: -9.697
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -9.979
flat angles P-C4'-P energy: -4.235
tors. eta vs tors. theta energy: -1.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -61.443454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.443454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.443454 (E_RNA)
where:
Base-Base interactions energy: -21.611
where: short stacking energy: -14.817
Base-Backbone interact. energy: -1.156
local terms energy: -38.676059
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -9.831
flat angles P-C4'-P energy: -5.101
tors. eta vs tors. theta energy: -2.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -53.597829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.597829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.597829 (E_RNA)
where:
Base-Base interactions energy: -19.149
where: short stacking energy: -18.003
Base-Backbone interact. energy: -0.418
local terms energy: -34.031242
where:
bonds (distance) C4'-P energy: -9.930
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -5.198
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: 0.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -59.919965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.919965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.919965 (E_RNA)
where:
Base-Base interactions energy: -27.903
where: short stacking energy: -11.110
Base-Backbone interact. energy: -0.742
local terms energy: -31.275486
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -8.651
flat angles C4'-P-C4' energy: -8.504
flat angles P-C4'-P energy: -5.096
tors. eta vs tors. theta energy: 2.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -138.638807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.638807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.638807 (E_RNA)
where:
Base-Base interactions energy: -90.711
where: short stacking energy: -34.507
Base-Backbone interact. energy: -0.981
local terms energy: -46.947193
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -10.604
flat angles P-C4'-P energy: -5.175
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: 2, replica: 4
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -109.824790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.824790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.824790 (E_RNA)
where:
Base-Base interactions energy: -62.733
where: short stacking energy: -25.172
Base-Backbone interact. energy: -0.263
local terms energy: -46.828953
where:
bonds (distance) C4'-P energy: -7.648
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -8.459
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -7.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -125.166876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.166876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.166876 (E_RNA)
where:
Base-Base interactions energy: -74.105
where: short stacking energy: -31.464
Base-Backbone interact. energy: -0.782
local terms energy: -50.280028
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -3.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -100.808098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.808098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.808098 (E_RNA)
where:
Base-Base interactions energy: -52.832
where: short stacking energy: -34.859
Base-Backbone interact. energy: -0.088
local terms energy: -47.887705
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -10.743
flat angles C4'-P-C4' energy: -7.159
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -9.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -74.792641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.792641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.792641 (E_RNA)
where:
Base-Base interactions energy: -27.826
where: short stacking energy: -25.110
Base-Backbone interact. energy: -0.126
local terms energy: -46.841139
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -8.335
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -4.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -66.074585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.074585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.074585 (E_RNA)
where:
Base-Base interactions energy: -24.647
where: short stacking energy: -15.637
Base-Backbone interact. energy: -0.003
local terms energy: -41.425000
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -10.401
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -8.326
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: 7, replica: 9
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -63.863810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.863810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.863810 (E_RNA)
where:
Base-Base interactions energy: -23.753
where: short stacking energy: -19.280
Base-Backbone interact. energy: -0.021
local terms energy: -40.090679
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -10.051
flat angles P-C4'-P energy: -4.666
tors. eta vs tors. theta energy: -3.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -61.853192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.853192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.853192 (E_RNA)
where:
Base-Base interactions energy: -23.401
where: short stacking energy: -20.419
Base-Backbone interact. energy: -0.170
local terms energy: -38.282721
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -10.904
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -3.629
tors. eta vs tors. theta energy: -2.394
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: 9, replica: 6
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -60.314325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.314325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.314325 (E_RNA)
where:
Base-Base interactions energy: -24.075
where: short stacking energy: -11.803
Base-Backbone interact. energy: 2.408
local terms energy: -38.647256
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -8.689
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -6.041
tors. eta vs tors. theta energy: -1.414
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: 8
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -57.004119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.004119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.004119 (E_RNA)
where:
Base-Base interactions energy: -24.233
where: short stacking energy: -11.555
Base-Backbone interact. energy: 0.140
local terms energy: -32.911372
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -8.778
flat angles C4'-P-C4' energy: -9.591
flat angles P-C4'-P energy: -5.626
tors. eta vs tors. theta energy: 0.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -99.179801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.179801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.179801 (E_RNA)
where:
Base-Base interactions energy: -59.072
where: short stacking energy: -27.319
Base-Backbone interact. energy: -0.029
local terms energy: -40.078636
where:
bonds (distance) C4'-P energy: -9.325
bonds (distance) P-C4' energy: -7.450
flat angles C4'-P-C4' energy: -9.134
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -6.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -138.365696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.365696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.365696 (E_RNA)
where:
Base-Base interactions energy: -89.854
where: short stacking energy: -30.462
Base-Backbone interact. energy: -0.221
local terms energy: -48.290608
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -8.425
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -7.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -101.775019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.775019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.775019 (E_RNA)
where:
Base-Base interactions energy: -54.996
where: short stacking energy: -22.348
Base-Backbone interact. energy: -0.093
local terms energy: -46.686171
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -6.129
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: 4, replica: 7
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -99.652481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.652481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.652481 (E_RNA)
where:
Base-Base interactions energy: -56.904
where: short stacking energy: -34.116
Base-Backbone interact. energy: -0.086
local terms energy: -42.661772
where:
bonds (distance) C4'-P energy: -8.100
bonds (distance) P-C4' energy: -10.737
flat angles C4'-P-C4' energy: -7.402
flat angles P-C4'-P energy: -7.288
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: 5, replica: 1
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -64.736702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.736702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.736702 (E_RNA)
where:
Base-Base interactions energy: -26.163
where: short stacking energy: -23.783
Base-Backbone interact. energy: -0.092
local terms energy: -38.482398
where:
bonds (distance) C4'-P energy: -8.496
bonds (distance) P-C4' energy: -9.397
flat angles C4'-P-C4' energy: -10.117
flat angles P-C4'-P energy: -7.621
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: 6, replica: 2
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -68.941225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.941225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.941225 (E_RNA)
where:
Base-Base interactions energy: -26.224
where: short stacking energy: -17.141
Base-Backbone interact. energy: -0.212
local terms energy: -42.505133
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -10.037
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: -4.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -70.023820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.023820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.023820 (E_RNA)
where:
Base-Base interactions energy: -33.414
where: short stacking energy: -30.789
Base-Backbone interact. energy: -0.000
local terms energy: -36.609862
where:
bonds (distance) C4'-P energy: -9.895
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -7.091
flat angles P-C4'-P energy: -1.117
tors. eta vs tors. theta energy: -6.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -60.347724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.347724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.347724 (E_RNA)
where:
Base-Base interactions energy: -21.110
where: short stacking energy: -13.562
Base-Backbone interact. energy: -0.003
local terms energy: -39.234474
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -6.974
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: 0.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -59.990052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.990052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.990052 (E_RNA)
where:
Base-Base interactions energy: -25.693
where: short stacking energy: -16.540
Base-Backbone interact. energy: 1.621
local terms energy: -35.917721
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -6.242
flat angles C4'-P-C4' energy: -10.613
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -0.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -53.930761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.930761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.930761 (E_RNA)
where:
Base-Base interactions energy: -12.990
where: short stacking energy: -9.630
Base-Backbone interact. energy: -0.063
local terms energy: -40.878131
where:
bonds (distance) C4'-P energy: -7.686
bonds (distance) P-C4' energy: -10.791
flat angles C4'-P-C4' energy: -7.856
flat angles P-C4'-P energy: -7.236
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: 4
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -99.988585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.988585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.988585 (E_RNA)
where:
Base-Base interactions energy: -57.630
where: short stacking energy: -29.129
Base-Backbone interact. energy: 0.194
local terms energy: -42.552672
where:
bonds (distance) C4'-P energy: -10.628
bonds (distance) P-C4' energy: -9.013
flat angles C4'-P-C4' energy: -8.761
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -4.712
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: 483
Temperature: 0.950000
Total energy: -123.255886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.255886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.255886 (E_RNA)
where:
Base-Base interactions energy: -78.123
where: short stacking energy: -30.106
Base-Backbone interact. energy: -0.529
local terms energy: -44.603818
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -9.637
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -6.222
tors. eta vs tors. theta energy: -7.804
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: 3, replica: 3
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -132.244169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.244169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.244169 (E_RNA)
where:
Base-Base interactions energy: -81.028
where: short stacking energy: -36.470
Base-Backbone interact. energy: -0.789
local terms energy: -50.426493
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -11.314
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -7.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -75.375069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.375069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.375069 (E_RNA)
where:
Base-Base interactions energy: -33.892
where: short stacking energy: -19.441
Base-Backbone interact. energy: -0.164
local terms energy: -41.318854
where:
bonds (distance) C4'-P energy: -8.269
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -8.746
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -4.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -91.829347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.829347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.829347 (E_RNA)
where:
Base-Base interactions energy: -60.745
where: short stacking energy: -20.255
Base-Backbone interact. energy: -0.028
local terms energy: -31.055764
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -7.365
flat angles C4'-P-C4' energy: -7.558
flat angles P-C4'-P energy: -1.963
tors. eta vs tors. theta energy: -3.657
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: 6, replica: 10
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -92.994329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.994329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.994329 (E_RNA)
where:
Base-Base interactions energy: -44.956
where: short stacking energy: -26.945
Base-Backbone interact. energy: -0.003
local terms energy: -48.035298
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -8.038
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -9.960
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: 2
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -75.257546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.257546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.257546 (E_RNA)
where:
Base-Base interactions energy: -34.971
where: short stacking energy: -22.129
Base-Backbone interact. energy: -0.120
local terms energy: -40.167145
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -5.751
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -5.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -66.536408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.536408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.536408 (E_RNA)
where:
Base-Base interactions energy: -27.900
where: short stacking energy: -12.772
Base-Backbone interact. energy: 0.994
local terms energy: -39.630689
where:
bonds (distance) C4'-P energy: -8.926
bonds (distance) P-C4' energy: -10.401
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -5.928
tors. eta vs tors. theta energy: -3.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -54.466510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.466510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.466510 (E_RNA)
where:
Base-Base interactions energy: -15.288
where: short stacking energy: -11.414
Base-Backbone interact. energy: -0.791
local terms energy: -38.387435
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -6.516
flat angles C4'-P-C4' energy: -9.554
flat angles P-C4'-P energy: -6.572
tors. eta vs tors. theta energy: -3.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -67.021440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.021440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.021440 (E_RNA)
where:
Base-Base interactions energy: -30.781
where: short stacking energy: -30.626
Base-Backbone interact. energy: -0.002
local terms energy: -36.238504
where:
bonds (distance) C4'-P energy: -9.106
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -8.381
flat angles P-C4'-P energy: -1.135
tors. eta vs tors. theta energy: -6.292
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: 5
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -127.924632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.924632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.924632 (E_RNA)
where:
Base-Base interactions energy: -77.434
where: short stacking energy: -33.890
Base-Backbone interact. energy: -0.604
local terms energy: -49.886530
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -9.086
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -8.529
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: 4
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -114.768831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.768831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.768831 (E_RNA)
where:
Base-Base interactions energy: -63.983
where: short stacking energy: -41.238
Base-Backbone interact. energy: -0.004
local terms energy: -50.782305
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -9.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -137.871387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.871387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.871387 (E_RNA)
where:
Base-Base interactions energy: -91.622
where: short stacking energy: -38.629
Base-Backbone interact. energy: 1.743
local terms energy: -47.991671
where:
bonds (distance) C4'-P energy: -7.851
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -6.968
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: 4, replica: 1
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -105.153149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.153149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.153149 (E_RNA)
where:
Base-Base interactions energy: -61.335
where: short stacking energy: -24.982
Base-Backbone interact. energy: -0.098
local terms energy: -43.719701
where:
bonds (distance) C4'-P energy: -9.230
bonds (distance) P-C4' energy: -11.640
flat angles C4'-P-C4' energy: -8.159
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -6.478
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: 7
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -97.337334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.337334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.337334 (E_RNA)
where:
Base-Base interactions energy: -49.509
where: short stacking energy: -21.593
Base-Backbone interact. energy: 0.309
local terms energy: -48.137028
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -9.802
flat angles P-C4'-P energy: -5.206
tors. eta vs tors. theta energy: -9.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -65.431128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.431128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.431128 (E_RNA)
where:
Base-Base interactions energy: -28.056
where: short stacking energy: -23.148
Base-Backbone interact. energy: -0.015
local terms energy: -37.359854
where:
bonds (distance) C4'-P energy: -7.003
bonds (distance) P-C4' energy: -9.768
flat angles C4'-P-C4' energy: -8.746
flat angles P-C4'-P energy: -6.506
tors. eta vs tors. theta energy: -5.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -61.397925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.397925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.397925 (E_RNA)
where:
Base-Base interactions energy: -22.336
where: short stacking energy: -14.723
Base-Backbone interact. energy: -0.144
local terms energy: -38.918071
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -13.498
flat angles C4'-P-C4' energy: -8.355
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: -0.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -52.484991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.484991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.484991 (E_RNA)
where:
Base-Base interactions energy: -16.778
where: short stacking energy: -7.813
Base-Backbone interact. energy: -0.436
local terms energy: -35.270999
where:
bonds (distance) C4'-P energy: -7.247
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -9.727
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: 1.197
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: 6
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -62.352306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.352306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.352306 (E_RNA)
where:
Base-Base interactions energy: -20.136
where: short stacking energy: -20.136
Base-Backbone interact. energy: -0.098
local terms energy: -42.118064
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -9.749
flat angles P-C4'-P energy: -5.320
tors. eta vs tors. theta energy: -4.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -61.448275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.448275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.448275 (E_RNA)
where:
Base-Base interactions energy: -29.159
where: short stacking energy: -16.548
Base-Backbone interact. energy: 0.080
local terms energy: -32.368320
where:
bonds (distance) C4'-P energy: -7.161
bonds (distance) P-C4' energy: -8.914
flat angles C4'-P-C4' energy: -9.037
flat angles P-C4'-P energy: -6.462
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: 5
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -135.195925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.195925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.195925 (E_RNA)
where:
Base-Base interactions energy: -87.991
where: short stacking energy: -34.092
Base-Backbone interact. energy: -1.029
local terms energy: -46.176294
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -9.722
flat angles C4'-P-C4' energy: -10.846
flat angles P-C4'-P energy: -6.404
tors. eta vs tors. theta energy: -6.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -143.275943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.275943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.275943 (E_RNA)
where:
Base-Base interactions energy: -96.401
where: short stacking energy: -34.372
Base-Backbone interact. energy: -0.429
local terms energy: -46.446429
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -10.221
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -6.432
tors. eta vs tors. theta energy: -7.688
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: 4
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -93.371542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.371542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.371542 (E_RNA)
where:
Base-Base interactions energy: -52.052
where: short stacking energy: -22.890
Base-Backbone interact. energy: 0.140
local terms energy: -41.459790
where:
bonds (distance) C4'-P energy: -9.404
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -9.624
flat angles P-C4'-P energy: -4.477
tors. eta vs tors. theta energy: -5.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -96.446614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.446614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.446614 (E_RNA)
where:
Base-Base interactions energy: -52.312
where: short stacking energy: -28.642
Base-Backbone interact. energy: -0.005
local terms energy: -44.129954
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: -3.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -93.683344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.683344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.683344 (E_RNA)
where:
Base-Base interactions energy: -57.220
where: short stacking energy: -25.934
Base-Backbone interact. energy: -0.790
local terms energy: -35.672838
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -6.660
flat angles C4'-P-C4' energy: -8.931
flat angles P-C4'-P energy: -6.191
tors. eta vs tors. theta energy: -2.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -73.002869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.002869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.002869 (E_RNA)
where:
Base-Base interactions energy: -29.523
where: short stacking energy: -14.537
Base-Backbone interact. energy: -0.484
local terms energy: -42.995471
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -10.394
flat angles C4'-P-C4' energy: -8.658
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -4.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -71.099482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.099482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.099482 (E_RNA)
where:
Base-Base interactions energy: -29.144
where: short stacking energy: -18.974
Base-Backbone interact. energy: -0.310
local terms energy: -41.645659
where:
bonds (distance) C4'-P energy: -8.666
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -9.498
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -1.616
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: 8, replica: 6
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -57.719545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.719545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.719545 (E_RNA)
where:
Base-Base interactions energy: -20.509
where: short stacking energy: -13.674
Base-Backbone interact. energy: -0.221
local terms energy: -36.989610
where:
bonds (distance) C4'-P energy: -9.424
bonds (distance) P-C4' energy: -9.724
flat angles C4'-P-C4' energy: -9.478
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -1.738
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: 485
Temperature: 1.300000
Total energy: -56.917886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.917886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.917886 (E_RNA)
where:
Base-Base interactions energy: -21.527
where: short stacking energy: -20.946
Base-Backbone interact. energy: -0.096
local terms energy: -35.295322
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -11.071
flat angles C4'-P-C4' energy: -5.153
flat angles P-C4'-P energy: -6.079
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: 10, replica: 9
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -63.687202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.687202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.687202 (E_RNA)
where:
Base-Base interactions energy: -32.295
where: short stacking energy: -10.516
Base-Backbone interact. energy: -0.146
local terms energy: -31.246078
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -8.495
flat angles C4'-P-C4' energy: -5.842
flat angles P-C4'-P energy: -8.979
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: 3
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -140.291209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.291209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.291209 (E_RNA)
where:
Base-Base interactions energy: -88.629
where: short stacking energy: -30.563
Base-Backbone interact. energy: -0.771
local terms energy: -50.891763
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -7.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -138.818134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.818134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.818134 (E_RNA)
where:
Base-Base interactions energy: -91.235
where: short stacking energy: -36.085
Base-Backbone interact. energy: -1.074
local terms energy: -46.509401
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -9.503
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -4.651
tors. eta vs tors. theta energy: -10.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -120.813557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.813557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.813557 (E_RNA)
where:
Base-Base interactions energy: -75.998
where: short stacking energy: -35.791
Base-Backbone interact. energy: 0.092
local terms energy: -44.907844
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -5.887
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: 4, replica: 4
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -108.609820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.609820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.609820 (E_RNA)
where:
Base-Base interactions energy: -61.166
where: short stacking energy: -30.977
Base-Backbone interact. energy: -0.002
local terms energy: -47.441508
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -9.938
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: -10.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -72.314168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.314168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.314168 (E_RNA)
where:
Base-Base interactions energy: -29.264
where: short stacking energy: -16.414
Base-Backbone interact. energy: -0.150
local terms energy: -42.900140
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -8.962
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: 0.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -100.679586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.679586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.679586 (E_RNA)
where:
Base-Base interactions energy: -61.975
where: short stacking energy: -21.029
Base-Backbone interact. energy: -0.212
local terms energy: -38.492780
where:
bonds (distance) C4'-P energy: -7.888
bonds (distance) P-C4' energy: -10.585
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -2.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -69.790515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.790515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.790515 (E_RNA)
where:
Base-Base interactions energy: -32.346
where: short stacking energy: -18.376
Base-Backbone interact. energy: -0.206
local terms energy: -37.239157
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -10.110
flat angles C4'-P-C4' energy: -9.332
flat angles P-C4'-P energy: -5.495
tors. eta vs tors. theta energy: 0.247
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: 8, replica: 10
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -66.969455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.969455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.969455 (E_RNA)
where:
Base-Base interactions energy: -27.975
where: short stacking energy: -13.927
Base-Backbone interact. energy: -0.192
local terms energy: -38.802618
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: 2.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -55.821137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.821137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.821137 (E_RNA)
where:
Base-Base interactions energy: -13.184
where: short stacking energy: -13.184
Base-Backbone interact. energy: -0.342
local terms energy: -42.295659
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -9.073
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -56.972710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.972710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.972710 (E_RNA)
where:
Base-Base interactions energy: -20.987
where: short stacking energy: -12.414
Base-Backbone interact. energy: -0.648
local terms energy: -35.337802
where:
bonds (distance) C4'-P energy: -6.154
bonds (distance) P-C4' energy: -10.218
flat angles C4'-P-C4' energy: -8.160
flat angles P-C4'-P energy: -6.851
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: 1, replica: 3
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -137.875623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.875623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.875623 (E_RNA)
where:
Base-Base interactions energy: -87.292
where: short stacking energy: -30.041
Base-Backbone interact. energy: -0.743
local terms energy: -49.841129
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -8.909
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -8.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -136.289925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.289925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.289925 (E_RNA)
where:
Base-Base interactions energy: -89.377
where: short stacking energy: -36.224
Base-Backbone interact. energy: -0.062
local terms energy: -46.850187
where:
bonds (distance) C4'-P energy: -10.257
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -7.977
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -10.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -114.879562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.879562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.879562 (E_RNA)
where:
Base-Base interactions energy: -62.982
where: short stacking energy: -40.480
Base-Backbone interact. energy: -0.361
local terms energy: -51.537374
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -11.094
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -11.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -96.253824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.253824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.253824 (E_RNA)
where:
Base-Base interactions energy: -55.196
where: short stacking energy: -28.638
Base-Backbone interact. energy: -0.355
local terms energy: -40.702793
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -1.485
tors. eta vs tors. theta energy: -7.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -81.646398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.646398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.646398 (E_RNA)
where:
Base-Base interactions energy: -46.732
where: short stacking energy: -31.127
Base-Backbone interact. energy: -0.006
local terms energy: -34.908043
where:
bonds (distance) C4'-P energy: -6.055
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -6.214
flat angles P-C4'-P energy: -2.416
tors. eta vs tors. theta energy: -9.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -76.554680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.554680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.554680 (E_RNA)
where:
Base-Base interactions energy: -35.355
where: short stacking energy: -25.883
Base-Backbone interact. energy: -0.114
local terms energy: -41.085025
where:
bonds (distance) C4'-P energy: -9.147
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -8.344
flat angles P-C4'-P energy: -7.212
tors. eta vs tors. theta energy: -4.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -57.615228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.615228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.615228 (E_RNA)
where:
Base-Base interactions energy: -20.208
where: short stacking energy: -19.647
Base-Backbone interact. energy: 1.993
local terms energy: -39.400379
where:
bonds (distance) C4'-P energy: -8.674
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -7.709
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -62.943618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.943618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.943618 (E_RNA)
where:
Base-Base interactions energy: -28.825
where: short stacking energy: -18.284
Base-Backbone interact. energy: 0.906
local terms energy: -35.024694
where:
bonds (distance) C4'-P energy: -7.844
bonds (distance) P-C4' energy: -9.119
flat angles C4'-P-C4' energy: -7.188
flat angles P-C4'-P energy: -5.951
tors. eta vs tors. theta energy: -4.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -68.450818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.450818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.450818 (E_RNA)
where:
Base-Base interactions energy: -25.955
where: short stacking energy: -25.955
Base-Backbone interact. energy: -0.023
local terms energy: -42.473217
where:
bonds (distance) C4'-P energy: -8.479
bonds (distance) P-C4' energy: -11.830
flat angles C4'-P-C4' energy: -8.416
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -5.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -55.739125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.739125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.739125 (E_RNA)
where:
Base-Base interactions energy: -20.645
where: short stacking energy: -11.065
Base-Backbone interact. energy: -0.142
local terms energy: -34.952023
where:
bonds (distance) C4'-P energy: -8.638
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -10.490
flat angles P-C4'-P energy: -2.852
tors. eta vs tors. theta energy: -1.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -144.403572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.403572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.403572 (E_RNA)
where:
Base-Base interactions energy: -92.582
where: short stacking energy: -39.482
Base-Backbone interact. energy: -0.646
local terms energy: -51.175624
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -11.569
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -9.406
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: 2, replica: 3
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -128.925847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.925847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.925847 (E_RNA)
where:
Base-Base interactions energy: -89.222
where: short stacking energy: -31.835
Base-Backbone interact. energy: -0.652
local terms energy: -39.052608
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -8.617
flat angles C4'-P-C4' energy: -8.744
flat angles P-C4'-P energy: -5.530
tors. eta vs tors. theta energy: -3.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -90.796212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.796212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.796212 (E_RNA)
where:
Base-Base interactions energy: -50.646
where: short stacking energy: -24.061
Base-Backbone interact. energy: -0.022
local terms energy: -40.128067
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -10.777
flat angles C4'-P-C4' energy: -7.000
flat angles P-C4'-P energy: -6.600
tors. eta vs tors. theta energy: -2.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -107.458588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.458588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.458588 (E_RNA)
where:
Base-Base interactions energy: -63.945
where: short stacking energy: -30.846
Base-Backbone interact. energy: -0.776
local terms energy: -42.737186
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -7.279
flat angles C4'-P-C4' energy: -11.069
flat angles P-C4'-P energy: -5.210
tors. eta vs tors. theta energy: -8.699
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: 488
Temperature: 1.100000
Total energy: -74.730598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.730598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.730598 (E_RNA)
where:
Base-Base interactions energy: -31.422
where: short stacking energy: -18.755
Base-Backbone interact. energy: -0.589
local terms energy: -42.719177
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -9.481
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -1.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -66.982601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.982601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.982601 (E_RNA)
where:
Base-Base interactions energy: -23.410
where: short stacking energy: -22.624
Base-Backbone interact. energy: -0.122
local terms energy: -43.450606
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -9.526
flat angles C4'-P-C4' energy: -5.923
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -5.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -66.502052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.502052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.502052 (E_RNA)
where:
Base-Base interactions energy: -23.771
where: short stacking energy: -19.149
Base-Backbone interact. energy: -0.066
local terms energy: -42.664867
where:
bonds (distance) C4'-P energy: -9.250
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -4.749
tors. eta vs tors. theta energy: -4.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -56.763870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.763870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.763870 (E_RNA)
where:
Base-Base interactions energy: -19.811
where: short stacking energy: -19.520
Base-Backbone interact. energy: -0.281
local terms energy: -36.671464
where:
bonds (distance) C4'-P energy: -8.244
bonds (distance) P-C4' energy: -10.250
flat angles C4'-P-C4' energy: -8.708
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: -4.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -55.190820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.190820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.190820 (E_RNA)
where:
Base-Base interactions energy: -16.975
where: short stacking energy: -9.107
Base-Backbone interact. energy: -0.015
local terms energy: -38.200931
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -8.718
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: 2.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -58.394537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.394537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.394537 (E_RNA)
where:
Base-Base interactions energy: -24.577
where: short stacking energy: -11.735
Base-Backbone interact. energy: -0.739
local terms energy: -33.078653
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -10.489
flat angles C4'-P-C4' energy: -9.164
flat angles P-C4'-P energy: -3.375
tors. eta vs tors. theta energy: 1.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -136.157995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.157995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.157995 (E_RNA)
where:
Base-Base interactions energy: -87.413
where: short stacking energy: -30.319
Base-Backbone interact. energy: -0.368
local terms energy: -48.376835
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -7.353
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -8.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -139.869036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.869036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.869036 (E_RNA)
where:
Base-Base interactions energy: -91.786
where: short stacking energy: -39.123
Base-Backbone interact. energy: -0.509
local terms energy: -47.573522
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -6.775
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -10.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -90.989481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.989481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.989481 (E_RNA)
where:
Base-Base interactions energy: -52.188
where: short stacking energy: -33.040
Base-Backbone interact. energy: -0.014
local terms energy: -38.787782
where:
bonds (distance) C4'-P energy: -8.944
bonds (distance) P-C4' energy: -8.051
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -0.890
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: 7
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -124.606655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.606655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.606655 (E_RNA)
where:
Base-Base interactions energy: -81.111
where: short stacking energy: -32.119
Base-Backbone interact. energy: 0.548
local terms energy: -44.044465
where:
bonds (distance) C4'-P energy: -8.471
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -9.379
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -5.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -70.258110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.258110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.258110 (E_RNA)
where:
Base-Base interactions energy: -28.141
where: short stacking energy: -17.696
Base-Backbone interact. energy: -0.709
local terms energy: -41.408700
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -9.886
flat angles C4'-P-C4' energy: -9.467
flat angles P-C4'-P energy: -5.451
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: 6, replica: 1
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -77.910007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.910007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.910007 (E_RNA)
where:
Base-Base interactions energy: -40.268
where: short stacking energy: -29.189
Base-Backbone interact. energy: -0.150
local terms energy: -37.491693
where:
bonds (distance) C4'-P energy: -9.739
bonds (distance) P-C4' energy: -9.538
flat angles C4'-P-C4' energy: -7.214
flat angles P-C4'-P energy: -3.285
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: 7, replica: 2
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -62.228921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.228921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.228921 (E_RNA)
where:
Base-Base interactions energy: -19.661
where: short stacking energy: -19.661
Base-Backbone interact. energy: -0.086
local terms energy: -42.482654
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -10.349
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -6.722
tors. eta vs tors. theta energy: -2.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -55.019896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.019896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.019896 (E_RNA)
where:
Base-Base interactions energy: -19.101
where: short stacking energy: -19.101
Base-Backbone interact. energy: -0.043
local terms energy: -35.875647
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -8.312
flat angles P-C4'-P energy: -3.137
tors. eta vs tors. theta energy: -0.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -66.454149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.454149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.454149 (E_RNA)
where:
Base-Base interactions energy: -27.305
where: short stacking energy: -13.484
Base-Backbone interact. energy: -0.091
local terms energy: -39.057908
where:
bonds (distance) C4'-P energy: -10.479
bonds (distance) P-C4' energy: -10.502
flat angles C4'-P-C4' energy: -9.048
flat angles P-C4'-P energy: -6.371
tors. eta vs tors. theta energy: -2.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -52.268813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.268813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.268813 (E_RNA)
where:
Base-Base interactions energy: -14.864
where: short stacking energy: -14.864
Base-Backbone interact. energy: -0.021
local terms energy: -37.384568
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -4.830
flat angles P-C4'-P energy: -5.835
tors. eta vs tors. theta energy: -2.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -132.649575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.649575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.649575 (E_RNA)
where:
Base-Base interactions energy: -83.216
where: short stacking energy: -34.819
Base-Backbone interact. energy: 0.017
local terms energy: -49.450549
where:
bonds (distance) C4'-P energy: -9.769
bonds (distance) P-C4' energy: -8.370
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -10.391
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: 3
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -140.174949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.174949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.174949 (E_RNA)
where:
Base-Base interactions energy: -92.432
where: short stacking energy: -42.499
Base-Backbone interact. energy: -1.097
local terms energy: -46.646317
where:
bonds (distance) C4'-P energy: -7.362
bonds (distance) P-C4' energy: -10.088
flat angles C4'-P-C4' energy: -10.350
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -10.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -121.038260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.038260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.038260 (E_RNA)
where:
Base-Base interactions energy: -70.830
where: short stacking energy: -33.039
Base-Backbone interact. energy: -0.088
local terms energy: -50.120313
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -10.597
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -6.162
tors. eta vs tors. theta energy: -11.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -81.194823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.194823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.194823 (E_RNA)
where:
Base-Base interactions energy: -38.503
where: short stacking energy: -16.311
Base-Backbone interact. energy: -0.441
local terms energy: -42.250425
where:
bonds (distance) C4'-P energy: -9.230
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -8.552
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -1.834
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: 1
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -68.449018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.449018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.449018 (E_RNA)
where:
Base-Base interactions energy: -25.150
where: short stacking energy: -25.150
Base-Backbone interact. energy: -0.009
local terms energy: -43.289755
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -8.316
flat angles P-C4'-P energy: -6.933
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: 6, replica: 8
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -75.336793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.336793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.336793 (E_RNA)
where:
Base-Base interactions energy: -32.250
where: short stacking energy: -23.584
Base-Backbone interact. energy: -0.031
local terms energy: -43.055573
where:
bonds (distance) C4'-P energy: -11.011
bonds (distance) P-C4' energy: -10.572
flat angles C4'-P-C4' energy: -8.150
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -4.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -58.236713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.236713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.236713 (E_RNA)
where:
Base-Base interactions energy: -17.589
where: short stacking energy: -11.141
Base-Backbone interact. energy: 0.092
local terms energy: -40.739089
where:
bonds (distance) C4'-P energy: -10.599
bonds (distance) P-C4' energy: -10.146
flat angles C4'-P-C4' energy: -10.722
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -0.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -58.752613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.752613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.752613 (E_RNA)
where:
Base-Base interactions energy: -17.804
where: short stacking energy: -14.968
Base-Backbone interact. energy: -0.233
local terms energy: -40.715284
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -10.679
flat angles C4'-P-C4' energy: -7.626
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -3.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -61.978926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.978926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.978926 (E_RNA)
where:
Base-Base interactions energy: -19.837
where: short stacking energy: -18.788
Base-Backbone interact. energy: -0.117
local terms energy: -42.025483
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -9.245
flat angles C4'-P-C4' energy: -10.612
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -2.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -50.384069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.384069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.384069 (E_RNA)
where:
Base-Base interactions energy: -18.508
where: short stacking energy: -15.341
Base-Backbone interact. energy: 0.041
local terms energy: -31.916736
where:
bonds (distance) C4'-P energy: -5.883
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -7.813
flat angles P-C4'-P energy: -4.194
tors. eta vs tors. theta energy: -1.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -138.724087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.724087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.724087 (E_RNA)
where:
Base-Base interactions energy: -87.820
where: short stacking energy: -37.727
Base-Backbone interact. energy: 0.256
local terms energy: -51.160007
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -8.933
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -10.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -141.134155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.134155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.134155 (E_RNA)
where:
Base-Base interactions energy: -95.337
where: short stacking energy: -42.331
Base-Backbone interact. energy: -0.608
local terms energy: -45.189480
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -6.190
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -8.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -91.764731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.764731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.764731 (E_RNA)
where:
Base-Base interactions energy: -48.447
where: short stacking energy: -24.350
Base-Backbone interact. energy: -0.285
local terms energy: -43.032781
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -8.670
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -4.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -87.584898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.584898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.584898 (E_RNA)
where:
Base-Base interactions energy: -38.761
where: short stacking energy: -25.618
Base-Backbone interact. energy: -0.116
local terms energy: -48.708362
where:
bonds (distance) C4'-P energy: -9.858
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -9.800
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -6.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -72.343127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.343127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.343127 (E_RNA)
where:
Base-Base interactions energy: -24.258
where: short stacking energy: -23.979
Base-Backbone interact. energy: -0.004
local terms energy: -48.081286
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -10.124
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -5.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -65.027432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.027432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.027432 (E_RNA)
where:
Base-Base interactions energy: -30.293
where: short stacking energy: -11.374
Base-Backbone interact. energy: -0.675
local terms energy: -34.059340
where:
bonds (distance) C4'-P energy: -10.966
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -8.296
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: 3.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -56.758003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.758003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.758003 (E_RNA)
where:
Base-Base interactions energy: -24.572
where: short stacking energy: -17.255
Base-Backbone interact. energy: 1.281
local terms energy: -33.466624
where:
bonds (distance) C4'-P energy: -9.947
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -9.429
flat angles P-C4'-P energy: -5.196
tors. eta vs tors. theta energy: 2.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -65.995682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.995682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.995682 (E_RNA)
where:
Base-Base interactions energy: -28.151
where: short stacking energy: -15.026
Base-Backbone interact. energy: -0.558
local terms energy: -37.286320
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -12.016
flat angles C4'-P-C4' energy: -6.625
flat angles P-C4'-P energy: -4.388
tors. eta vs tors. theta energy: -4.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -51.868044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.868044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.868044 (E_RNA)
where:
Base-Base interactions energy: -8.322
where: short stacking energy: -4.088
Base-Backbone interact. energy: -0.000
local terms energy: -43.546123
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: 0.372
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: 6
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -59.275986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.275986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.275986 (E_RNA)
where:
Base-Base interactions energy: -26.724
where: short stacking energy: -14.083
Base-Backbone interact. energy: -0.198
local terms energy: -32.354066
where:
bonds (distance) C4'-P energy: -9.879
bonds (distance) P-C4' energy: -9.697
flat angles C4'-P-C4' energy: -7.630
flat angles P-C4'-P energy: -2.937
tors. eta vs tors. theta energy: -2.211
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: 5
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -142.590626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.590626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.590626 (E_RNA)
where:
Base-Base interactions energy: -91.602
where: short stacking energy: -35.912
Base-Backbone interact. energy: -1.032
local terms energy: -49.956338
where:
bonds (distance) C4'-P energy: -8.252
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -9.968
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -10.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -129.974191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.974191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.974191 (E_RNA)
where:
Base-Base interactions energy: -82.848
where: short stacking energy: -30.809
Base-Backbone interact. energy: -0.916
local terms energy: -46.210492
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -3.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -91.428571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.428571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.428571 (E_RNA)
where:
Base-Base interactions energy: -46.415
where: short stacking energy: -25.721
Base-Backbone interact. energy: -0.130
local terms energy: -44.883287
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -4.866
tors. eta vs tors. theta energy: -4.900
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: 7
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -75.697897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.697897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.697897 (E_RNA)
where:
Base-Base interactions energy: -34.042
where: short stacking energy: -28.771
Base-Backbone interact. energy: -0.006
local terms energy: -41.650414
where:
bonds (distance) C4'-P energy: -6.915
bonds (distance) P-C4' energy: -10.712
flat angles C4'-P-C4' energy: -10.524
flat angles P-C4'-P energy: -9.143
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: 5, replica: 8
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -62.707312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.707312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.707312 (E_RNA)
where:
Base-Base interactions energy: -25.555
where: short stacking energy: -21.980
Base-Backbone interact. energy: -1.153
local terms energy: -35.998659
where:
bonds (distance) C4'-P energy: -8.782
bonds (distance) P-C4' energy: -10.550
flat angles C4'-P-C4' energy: -10.174
flat angles P-C4'-P energy: -4.983
tors. eta vs tors. theta energy: -1.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -73.283811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.283811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.283811 (E_RNA)
where:
Base-Base interactions energy: -40.162
where: short stacking energy: -18.576
Base-Backbone interact. energy: 0.135
local terms energy: -33.256753
where:
bonds (distance) C4'-P energy: -7.169
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -9.405
flat angles P-C4'-P energy: -5.116
tors. eta vs tors. theta energy: 1.468
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: 10
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -59.114758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.114758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.114758 (E_RNA)
where:
Base-Base interactions energy: -25.252
where: short stacking energy: -23.568
Base-Backbone interact. energy: -0.003
local terms energy: -33.859822
where:
bonds (distance) C4'-P energy: -9.564
bonds (distance) P-C4' energy: -6.628
flat angles C4'-P-C4' energy: -8.727
flat angles P-C4'-P energy: -6.028
tors. eta vs tors. theta energy: -2.913
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: 9
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -68.777844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.777844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.777844 (E_RNA)
where:
Base-Base interactions energy: -26.638
where: short stacking energy: -26.024
Base-Backbone interact. energy: -0.142
local terms energy: -41.997832
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -2.981
tors. eta vs tors. theta energy: -3.665
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: 2
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -58.452304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.452304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.452304 (E_RNA)
where:
Base-Base interactions energy: -18.709
where: short stacking energy: -19.709
Base-Backbone interact. energy: -0.114
local terms energy: -39.629319
where:
bonds (distance) C4'-P energy: -8.377
bonds (distance) P-C4' energy: -8.796
flat angles C4'-P-C4' energy: -6.306
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -6.138
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: 10, replica: 6
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -50.242608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.242608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.242608 (E_RNA)
where:
Base-Base interactions energy: -26.887
where: short stacking energy: -21.568
Base-Backbone interact. energy: 0.879
local terms energy: -24.234242
where:
bonds (distance) C4'-P energy: -0.227
bonds (distance) P-C4' energy: -10.113
flat angles C4'-P-C4' energy: -10.866
flat angles P-C4'-P energy: -4.266
tors. eta vs tors. theta energy: 1.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -143.961421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.961421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.961421 (E_RNA)
where:
Base-Base interactions energy: -92.732
where: short stacking energy: -36.019
Base-Backbone interact. energy: -1.294
local terms energy: -49.936297
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -10.005
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -10.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -132.202133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.202133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.202133 (E_RNA)
where:
Base-Base interactions energy: -88.527
where: short stacking energy: -29.604
Base-Backbone interact. energy: -0.708
local terms energy: -42.966436
where:
bonds (distance) C4'-P energy: -10.780
bonds (distance) P-C4' energy: -10.514
flat angles C4'-P-C4' energy: -7.346
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -7.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -111.541089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.541089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.541089 (E_RNA)
where:
Base-Base interactions energy: -67.406
where: short stacking energy: -36.559
Base-Backbone interact. energy: -0.006
local terms energy: -44.129026
where:
bonds (distance) C4'-P energy: -8.372
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -10.558
flat angles P-C4'-P energy: -2.229
tors. eta vs tors. theta energy: -11.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -79.671497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.671497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.671497 (E_RNA)
where:
Base-Base interactions energy: -41.862
where: short stacking energy: -21.803
Base-Backbone interact. energy: -0.001
local terms energy: -37.808301
where:
bonds (distance) C4'-P energy: -8.907
bonds (distance) P-C4' energy: -10.920
flat angles C4'-P-C4' energy: -8.138
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -70.170201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.170201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.170201 (E_RNA)
where:
Base-Base interactions energy: -35.549
where: short stacking energy: -15.767
Base-Backbone interact. energy: 1.090
local terms energy: -35.711417
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -8.284
flat angles C4'-P-C4' energy: -8.813
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -0.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -72.469009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.469009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.469009 (E_RNA)
where:
Base-Base interactions energy: -27.447
where: short stacking energy: -27.447
Base-Backbone interact. energy: -0.061
local terms energy: -44.961868
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -9.739
flat angles C4'-P-C4' energy: -9.839
flat angles P-C4'-P energy: -4.436
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: 7, replica: 4
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -58.484633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.484633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.484633 (E_RNA)
where:
Base-Base interactions energy: -25.897
where: short stacking energy: -6.995
Base-Backbone interact. energy: -0.635
local terms energy: -31.952571
where:
bonds (distance) C4'-P energy: -8.165
bonds (distance) P-C4' energy: -10.939
flat angles C4'-P-C4' energy: -9.194
flat angles P-C4'-P energy: -4.656
tors. eta vs tors. theta energy: 1.002
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: 2
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -67.710322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.710322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.710322 (E_RNA)
where:
Base-Base interactions energy: -34.564
where: short stacking energy: -19.326
Base-Backbone interact. energy: -0.019
local terms energy: -33.127715
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -9.579
flat angles C4'-P-C4' energy: -4.962
flat angles P-C4'-P energy: -4.340
tors. eta vs tors. theta energy: -3.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -59.691337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.691337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.691337 (E_RNA)
where:
Base-Base interactions energy: -26.837
where: short stacking energy: -14.090
Base-Backbone interact. energy: 0.093
local terms energy: -32.947018
where:
bonds (distance) C4'-P energy: -0.411
bonds (distance) P-C4' energy: -10.306
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -3.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -60.504003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.504003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.504003 (E_RNA)
where:
Base-Base interactions energy: -20.131
where: short stacking energy: -19.476
Base-Backbone interact. energy: -0.111
local terms energy: -40.261981
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -9.637
flat angles C4'-P-C4' energy: -7.794
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -1.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -130.819127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.819127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.819127 (E_RNA)
where:
Base-Base interactions energy: -87.639
where: short stacking energy: -30.390
Base-Backbone interact. energy: -0.290
local terms energy: -42.890385
where:
bonds (distance) C4'-P energy: -10.586
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -9.490
flat angles P-C4'-P energy: -3.871
tors. eta vs tors. theta energy: -6.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -133.367858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.367858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.367858 (E_RNA)
where:
Base-Base interactions energy: -84.473
where: short stacking energy: -29.358
Base-Backbone interact. energy: -0.111
local terms energy: -48.784337
where:
bonds (distance) C4'-P energy: -9.416
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -10.043
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -9.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -77.544171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.544171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.544171 (E_RNA)
where:
Base-Base interactions energy: -30.186
where: short stacking energy: -30.186
Base-Backbone interact. energy: -0.063
local terms energy: -47.294743
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -8.794
flat angles P-C4'-P energy: -5.408
tors. eta vs tors. theta energy: -9.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -77.187455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.187455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.187455 (E_RNA)
where:
Base-Base interactions energy: -32.459
where: short stacking energy: -23.992
Base-Backbone interact. energy: -0.072
local terms energy: -44.655740
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -10.502
flat angles C4'-P-C4' energy: -10.919
flat angles P-C4'-P energy: -5.813
tors. eta vs tors. theta energy: -4.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -73.977070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.977070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.977070 (E_RNA)
where:
Base-Base interactions energy: -36.254
where: short stacking energy: -26.649
Base-Backbone interact. energy: -0.034
local terms energy: -37.688561
where:
bonds (distance) C4'-P energy: -9.947
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -9.132
flat angles P-C4'-P energy: -6.685
tors. eta vs tors. theta energy: -1.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -80.708596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.708596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.708596 (E_RNA)
where:
Base-Base interactions energy: -36.746
where: short stacking energy: -36.601
Base-Backbone interact. energy: -0.003
local terms energy: -43.959752
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -8.586
flat angles C4'-P-C4' energy: -7.843
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -8.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -80.409841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.409841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.409841 (E_RNA)
where:
Base-Base interactions energy: -43.842
where: short stacking energy: -21.851
Base-Backbone interact. energy: -0.127
local terms energy: -36.441386
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -10.605
flat angles C4'-P-C4' energy: -8.073
flat angles P-C4'-P energy: -4.730
tors. eta vs tors. theta energy: -0.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -65.171003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.171003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.171003 (E_RNA)
where:
Base-Base interactions energy: -26.329
where: short stacking energy: -21.865
Base-Backbone interact. energy: -0.008
local terms energy: -38.833319
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -6.632
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -2.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -59.045021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.045021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.045021 (E_RNA)
where:
Base-Base interactions energy: -22.764
where: short stacking energy: -18.904
Base-Backbone interact. energy: -0.015
local terms energy: -36.265823
where:
bonds (distance) C4'-P energy: -9.792
bonds (distance) P-C4' energy: -10.248
flat angles C4'-P-C4' energy: -9.212
flat angles P-C4'-P energy: -5.300
tors. eta vs tors. theta energy: -1.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -58.430264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.430264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.430264 (E_RNA)
where:
Base-Base interactions energy: -17.724
where: short stacking energy: -12.712
Base-Backbone interact. energy: -0.209
local terms energy: -40.496871
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -7.559
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -1.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -140.545320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.545320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.545320 (E_RNA)
where:
Base-Base interactions energy: -93.194
where: short stacking energy: -38.195
Base-Backbone interact. energy: -1.076
local terms energy: -46.274651
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -7.920
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -7.740
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: 2, replica: 5
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -130.513010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.513010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.513010 (E_RNA)
where:
Base-Base interactions energy: -80.970
where: short stacking energy: -33.317
Base-Backbone interact. energy: -0.996
local terms energy: -48.546571
where:
bonds (distance) C4'-P energy: -8.675
bonds (distance) P-C4' energy: -8.245
flat angles C4'-P-C4' energy: -9.282
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -11.687
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: 7
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -83.069517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.069517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.069517 (E_RNA)
where:
Base-Base interactions energy: -39.874
where: short stacking energy: -38.745
Base-Backbone interact. energy: -0.021
local terms energy: -43.174978
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -9.704
flat angles C4'-P-C4' energy: -10.512
flat angles P-C4'-P energy: -4.515
tors. eta vs tors. theta energy: -8.292
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: 4, replica: 10
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -81.160614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.160614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.160614 (E_RNA)
where:
Base-Base interactions energy: -34.874
where: short stacking energy: -26.712
Base-Backbone interact. energy: -0.088
local terms energy: -46.198644
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -9.683
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -5.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -68.669548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.669548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.669548 (E_RNA)
where:
Base-Base interactions energy: -26.520
where: short stacking energy: -21.683
Base-Backbone interact. energy: -0.286
local terms energy: -41.863567
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -9.520
flat angles C4'-P-C4' energy: -8.619
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -3.914
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: 2
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -72.984166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.984166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.984166 (E_RNA)
where:
Base-Base interactions energy: -33.296
where: short stacking energy: -29.806
Base-Backbone interact. energy: -0.019
local terms energy: -39.668759
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -8.929
flat angles C4'-P-C4' energy: -8.871
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -3.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -61.926140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.926140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.926140 (E_RNA)
where:
Base-Base interactions energy: -21.150
where: short stacking energy: -20.729
Base-Backbone interact. energy: -0.118
local terms energy: -40.657720
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -10.369
flat angles P-C4'-P energy: -6.776
tors. eta vs tors. theta energy: 0.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -64.085538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.085538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.085538 (E_RNA)
where:
Base-Base interactions energy: -23.826
where: short stacking energy: -21.153
Base-Backbone interact. energy: -0.017
local terms energy: -40.243205
where:
bonds (distance) C4'-P energy: -8.860
bonds (distance) P-C4' energy: -9.964
flat angles C4'-P-C4' energy: -8.769
flat angles P-C4'-P energy: -6.322
tors. eta vs tors. theta energy: -6.328
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: 495
Temperature: 1.300000
Total energy: -54.649139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.649139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.649139 (E_RNA)
where:
Base-Base interactions energy: -17.281
where: short stacking energy: -12.572
Base-Backbone interact. energy: -0.677
local terms energy: -36.691082
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -7.168
flat angles C4'-P-C4' energy: -8.976
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -2.075
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: 10, replica: 9
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -60.594354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.594354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.594354 (E_RNA)
where:
Base-Base interactions energy: -30.572
where: short stacking energy: -7.572
Base-Backbone interact. energy: -0.112
local terms energy: -29.909968
where:
bonds (distance) C4'-P energy: -8.290
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -5.631
flat angles P-C4'-P energy: -6.347
tors. eta vs tors. theta energy: 3.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -142.801945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.801945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.801945 (E_RNA)
where:
Base-Base interactions energy: -100.929
where: short stacking energy: -34.405
Base-Backbone interact. energy: -0.431
local terms energy: -41.442008
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -10.792
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -3.807
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: 2, replica: 5
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -129.866226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.866226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.866226 (E_RNA)
where:
Base-Base interactions energy: -77.548
where: short stacking energy: -25.835
Base-Backbone interact. energy: -0.715
local terms energy: -51.603580
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -7.059
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: 3, replica: 10
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -78.206054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.206054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.206054 (E_RNA)
where:
Base-Base interactions energy: -34.955
where: short stacking energy: -18.067
Base-Backbone interact. energy: -0.147
local terms energy: -43.104541
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -10.522
flat angles P-C4'-P energy: -5.743
tors. eta vs tors. theta energy: -3.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -78.131679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.131679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.131679 (E_RNA)
where:
Base-Base interactions energy: -32.412
where: short stacking energy: -31.923
Base-Backbone interact. energy: -0.083
local terms energy: -45.636300
where:
bonds (distance) C4'-P energy: -8.485
bonds (distance) P-C4' energy: -10.497
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -7.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -74.236453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.236453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.236453 (E_RNA)
where:
Base-Base interactions energy: -29.659
where: short stacking energy: -29.585
Base-Backbone interact. energy: -0.028
local terms energy: -44.549308
where:
bonds (distance) C4'-P energy: -8.410
bonds (distance) P-C4' energy: -9.097
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -6.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -62.344179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.344179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.344179 (E_RNA)
where:
Base-Base interactions energy: -27.417
where: short stacking energy: -22.333
Base-Backbone interact. energy: -0.175
local terms energy: -34.752075
where:
bonds (distance) C4'-P energy: -8.447
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -8.626
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -0.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -60.981007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.981007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.981007 (E_RNA)
where:
Base-Base interactions energy: -24.768
where: short stacking energy: -14.638
Base-Backbone interact. energy: 0.150
local terms energy: -36.363219
where:
bonds (distance) C4'-P energy: -7.024
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -7.514
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -1.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -66.275025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.275025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.275025 (E_RNA)
where:
Base-Base interactions energy: -27.170
where: short stacking energy: -18.179
Base-Backbone interact. energy: -0.142
local terms energy: -38.962580
where:
bonds (distance) C4'-P energy: -5.632
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -8.649
flat angles P-C4'-P energy: -7.759
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: 9
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -62.946963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.946963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.946963 (E_RNA)
where:
Base-Base interactions energy: -19.430
where: short stacking energy: -13.141
Base-Backbone interact. energy: -0.700
local terms energy: -42.816767
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -11.814
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -5.699
tors. eta vs tors. theta energy: -2.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -51.330416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.330416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.330416 (E_RNA)
where:
Base-Base interactions energy: -16.725
where: short stacking energy: -14.676
Base-Backbone interact. energy: -0.144
local terms energy: -34.461263
where:
bonds (distance) C4'-P energy: -9.821
bonds (distance) P-C4' energy: -10.278
flat angles C4'-P-C4' energy: -4.891
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -2.376
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: 1, replica: 3
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -132.610041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.610041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.610041 (E_RNA)
where:
Base-Base interactions energy: -91.765
where: short stacking energy: -37.321
Base-Backbone interact. energy: -1.114
local terms energy: -39.730993
where:
bonds (distance) C4'-P energy: -10.524
bonds (distance) P-C4' energy: -6.118
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -3.820
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: 2, replica: 5
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -122.702490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.702490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.702490 (E_RNA)
where:
Base-Base interactions energy: -81.828
where: short stacking energy: -35.553
Base-Backbone interact. energy: 0.716
local terms energy: -41.590195
where:
bonds (distance) C4'-P energy: -5.219
bonds (distance) P-C4' energy: -11.039
flat angles C4'-P-C4' energy: -9.726
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -7.095
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: 10
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -90.719812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.719812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.719812 (E_RNA)
where:
Base-Base interactions energy: -50.591
where: short stacking energy: -25.685
Base-Backbone interact. energy: -0.005
local terms energy: -40.124747
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -9.248
flat angles P-C4'-P energy: -4.917
tors. eta vs tors. theta energy: -3.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -71.847132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.847132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.847132 (E_RNA)
where:
Base-Base interactions energy: -30.638
where: short stacking energy: -22.163
Base-Backbone interact. energy: -0.000
local terms energy: -41.208613
where:
bonds (distance) C4'-P energy: -8.157
bonds (distance) P-C4' energy: -9.211
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -4.286
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: 2
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -78.754182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.754182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.754182 (E_RNA)
where:
Base-Base interactions energy: -36.763
where: short stacking energy: -20.522
Base-Backbone interact. energy: -0.001
local terms energy: -41.989781
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: -9.013
flat angles P-C4'-P energy: -5.374
tors. eta vs tors. theta energy: -6.849
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: 497
Temperature: 1.150000
Total energy: -69.749673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.749673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.749673 (E_RNA)
where:
Base-Base interactions energy: -29.804
where: short stacking energy: -29.450
Base-Backbone interact. energy: -0.109
local terms energy: -39.836660
where:
bonds (distance) C4'-P energy: -10.674
bonds (distance) P-C4' energy: -9.557
flat angles C4'-P-C4' energy: -9.785
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -3.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -60.095302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.095302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.095302 (E_RNA)
where:
Base-Base interactions energy: -17.651
where: short stacking energy: -17.651
Base-Backbone interact. energy: -0.064
local terms energy: -42.380399
where:
bonds (distance) C4'-P energy: -8.914
bonds (distance) P-C4' energy: -11.567
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -3.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -65.114388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.114388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.114388 (E_RNA)
where:
Base-Base interactions energy: -25.657
where: short stacking energy: -25.657
Base-Backbone interact. energy: -0.010
local terms energy: -39.447463
where:
bonds (distance) C4'-P energy: -7.523
bonds (distance) P-C4' energy: -9.636
flat angles C4'-P-C4' energy: -9.787
flat angles P-C4'-P energy: -2.807
tors. eta vs tors. theta energy: -9.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -56.135438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.135438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.135438 (E_RNA)
where:
Base-Base interactions energy: -16.352
where: short stacking energy: -11.793
Base-Backbone interact. energy: -0.073
local terms energy: -39.709840
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -10.209
flat angles P-C4'-P energy: -5.176
tors. eta vs tors. theta energy: -1.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -60.354629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.354629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.354629 (E_RNA)
where:
Base-Base interactions energy: -28.368
where: short stacking energy: -17.188
Base-Backbone interact. energy: -0.037
local terms energy: -31.949637
where:
bonds (distance) C4'-P energy: -5.648
bonds (distance) P-C4' energy: -11.811
flat angles C4'-P-C4' energy: -5.503
flat angles P-C4'-P energy: -5.561
tors. eta vs tors. theta energy: -3.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -134.348501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.348501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.348501 (E_RNA)
where:
Base-Base interactions energy: -86.407
where: short stacking energy: -36.610
Base-Backbone interact. energy: -0.412
local terms energy: -47.529939
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -10.401
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -6.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -129.584423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.584423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.584423 (E_RNA)
where:
Base-Base interactions energy: -80.369
where: short stacking energy: -38.741
Base-Backbone interact. energy: -0.100
local terms energy: -49.115179
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -6.170
tors. eta vs tors. theta energy: -8.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -95.320632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.320632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.320632 (E_RNA)
where:
Base-Base interactions energy: -59.854
where: short stacking energy: -22.952
Base-Backbone interact. energy: 0.652
local terms energy: -36.117796
where:
bonds (distance) C4'-P energy: -7.723
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -7.575
flat angles P-C4'-P energy: -7.525
tors. eta vs tors. theta energy: -0.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -65.242633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.242633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.242633 (E_RNA)
where:
Base-Base interactions energy: -25.675
where: short stacking energy: -7.351
Base-Backbone interact. energy: -0.338
local terms energy: -39.229868
where:
bonds (distance) C4'-P energy: -10.417
bonds (distance) P-C4' energy: -9.892
flat angles C4'-P-C4' energy: -10.584
flat angles P-C4'-P energy: -7.283
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: 5, replica: 6
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -76.131555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.131555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.131555 (E_RNA)
where:
Base-Base interactions energy: -24.976
where: short stacking energy: -24.830
Base-Backbone interact. energy: -0.023
local terms energy: -51.132516
where:
bonds (distance) C4'-P energy: -9.639
bonds (distance) P-C4' energy: -10.549
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -10.580
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: 2
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -70.682653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.682653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.682653 (E_RNA)
where:
Base-Base interactions energy: -27.832
where: short stacking energy: -25.264
Base-Backbone interact. energy: -0.148
local terms energy: -42.703174
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -9.178
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -5.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -65.020281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.020281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.020281 (E_RNA)
where:
Base-Base interactions energy: -24.109
where: short stacking energy: -23.413
Base-Backbone interact. energy: -0.014
local terms energy: -40.897146
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -9.084
flat angles C4'-P-C4' energy: -9.483
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -5.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -69.682799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.682799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.682799 (E_RNA)
where:
Base-Base interactions energy: -31.672
where: short stacking energy: -25.988
Base-Backbone interact. energy: 0.482
local terms energy: -38.492520
where:
bonds (distance) C4'-P energy: -8.746
bonds (distance) P-C4' energy: -9.005
flat angles C4'-P-C4' energy: -6.195
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -4.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -56.019834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.019834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.019834 (E_RNA)
where:
Base-Base interactions energy: -19.629
where: short stacking energy: -13.037
Base-Backbone interact. energy: -0.508
local terms energy: -35.883660
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -7.841
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: 0.675
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: 8
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -52.904564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.904564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.904564 (E_RNA)
where:
Base-Base interactions energy: -15.311
where: short stacking energy: -10.984
Base-Backbone interact. energy: -0.103
local terms energy: -37.491128
where:
bonds (distance) C4'-P energy: -9.607
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -8.523
flat angles P-C4'-P energy: -4.789
tors. eta vs tors. theta energy: -0.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -128.019964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.019964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.019964 (E_RNA)
where:
Base-Base interactions energy: -82.970
where: short stacking energy: -30.925
Base-Backbone interact. energy: -0.900
local terms energy: -44.150263
where:
bonds (distance) C4'-P energy: -9.879
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -6.289
tors. eta vs tors. theta energy: -4.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -106.940756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.940756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.940756 (E_RNA)
where:
Base-Base interactions energy: -69.425
where: short stacking energy: -27.944
Base-Backbone interact. energy: -0.279
local terms energy: -37.236710
where:
bonds (distance) C4'-P energy: -8.295
bonds (distance) P-C4' energy: -9.383
flat angles C4'-P-C4' energy: -7.943
flat angles P-C4'-P energy: -6.191
tors. eta vs tors. theta energy: -5.425
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: 10
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -96.754336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.754336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.754336 (E_RNA)
where:
Base-Base interactions energy: -47.396
where: short stacking energy: -40.392
Base-Backbone interact. energy: -0.280
local terms energy: -49.077856
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: -10.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -78.842817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.842817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.842817 (E_RNA)
where:
Base-Base interactions energy: -37.463
where: short stacking energy: -23.266
Base-Backbone interact. energy: -0.153
local terms energy: -41.226664
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -2.614
tors. eta vs tors. theta energy: -6.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -74.200538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.200538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.200538 (E_RNA)
where:
Base-Base interactions energy: -27.635
where: short stacking energy: -27.635
Base-Backbone interact. energy: -0.095
local terms energy: -46.470065
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -9.358
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -6.080
tors. eta vs tors. theta energy: -8.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -69.820637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.820637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.820637 (E_RNA)
where:
Base-Base interactions energy: -26.768
where: short stacking energy: -24.298
Base-Backbone interact. energy: -0.146
local terms energy: -42.906858
where:
bonds (distance) C4'-P energy: -8.749
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -10.358
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -6.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -81.035072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.035072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.035072 (E_RNA)
where:
Base-Base interactions energy: -44.059
where: short stacking energy: -24.426
Base-Backbone interact. energy: -0.093
local terms energy: -36.883697
where:
bonds (distance) C4'-P energy: -8.705
bonds (distance) P-C4' energy: -9.315
flat angles C4'-P-C4' energy: -8.654
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: -3.458
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: 1
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -54.919597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.919597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.919597 (E_RNA)
where:
Base-Base interactions energy: -17.102
where: short stacking energy: -17.102
Base-Backbone interact. energy: -0.026
local terms energy: -37.792007
where:
bonds (distance) C4'-P energy: -9.365
bonds (distance) P-C4' energy: -11.437
flat angles C4'-P-C4' energy: -8.349
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -0.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -65.039754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.039754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.039754 (E_RNA)
where:
Base-Base interactions energy: -24.130
where: short stacking energy: -20.294
Base-Backbone interact. energy: 0.261
local terms energy: -41.170426
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -10.407
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -1.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -58.210587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.210587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.210587 (E_RNA)
where:
Base-Base interactions energy: -20.490
where: short stacking energy: -19.968
Base-Backbone interact. energy: -0.003
local terms energy: -37.717392
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -7.346
flat angles C4'-P-C4' energy: -10.485
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -0.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -126.322239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.322239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.322239 (E_RNA)
where:
Base-Base interactions energy: -79.672
where: short stacking energy: -30.018
Base-Backbone interact. energy: 0.295
local terms energy: -46.945268
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -4.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -106.263144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.263144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.263144 (E_RNA)
where:
Base-Base interactions energy: -56.457
where: short stacking energy: -31.195
Base-Backbone interact. energy: -0.577
local terms energy: -49.229437
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -11.078
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -4.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -105.547595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.547595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.547595 (E_RNA)
where:
Base-Base interactions energy: -53.384
where: short stacking energy: -31.192
Base-Backbone interact. energy: -0.006
local terms energy: -52.157642
where:
bonds (distance) C4'-P energy: -10.504
bonds (distance) P-C4' energy: -12.026
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -8.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -85.472234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.472234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.472234 (E_RNA)
where:
Base-Base interactions energy: -40.379
where: short stacking energy: -22.658
Base-Backbone interact. energy: -0.105
local terms energy: -44.988594
where:
bonds (distance) C4'-P energy: -10.408
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -9.768
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -4.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -76.421067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.421067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.421067 (E_RNA)
where:
Base-Base interactions energy: -32.744
where: short stacking energy: -25.042
Base-Backbone interact. energy: -0.278
local terms energy: -43.399160
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -9.546
flat angles P-C4'-P energy: -6.523
tors. eta vs tors. theta energy: -5.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -68.809604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.809604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.809604 (E_RNA)
where:
Base-Base interactions energy: -20.712
where: short stacking energy: -20.712
Base-Backbone interact. energy: 0.378
local terms energy: -48.474712
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -8.798
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: 7, replica: 1
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -60.593327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.593327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.593327 (E_RNA)
where:
Base-Base interactions energy: -16.226
where: short stacking energy: -16.226
Base-Backbone interact. energy: -0.115
local terms energy: -44.252619
where:
bonds (distance) C4'-P energy: -10.674
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -2.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -61.809551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.809551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.809551 (E_RNA)
where:
Base-Base interactions energy: -29.419
where: short stacking energy: -13.737
Base-Backbone interact. energy: -0.317
local terms energy: -32.073972
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -11.173
flat angles C4'-P-C4' energy: -7.647
flat angles P-C4'-P energy: -3.356
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: 9, replica: 8
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -57.171506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.171506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.171506 (E_RNA)
where:
Base-Base interactions energy: -26.327
where: short stacking energy: -19.484
Base-Backbone interact. energy: 1.405
local terms energy: -32.249113
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -3.721
flat angles P-C4'-P energy: -4.344
tors. eta vs tors. theta energy: -2.418
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: 500
Temperature: 1.350000
Total energy: -57.030757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.030757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.030757 (E_RNA)
where:
Base-Base interactions energy: -19.012
where: short stacking energy: -16.235
Base-Backbone interact. energy: -0.056
local terms energy: -37.962211
where:
bonds (distance) C4'-P energy: -8.857
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -9.755
flat angles P-C4'-P energy: -3.704
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: 3
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -119.805037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.805037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.805037 (E_RNA)
where:
Base-Base interactions energy: -65.959
where: short stacking energy: -29.009
Base-Backbone interact. energy: -0.133
local terms energy: -53.713335
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -8.772
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: 2, replica: 5
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -114.215217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.215217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.215217 (E_RNA)
where:
Base-Base interactions energy: -66.251
where: short stacking energy: -31.235
Base-Backbone interact. energy: -0.079
local terms energy: -47.885402
where:
bonds (distance) C4'-P energy: -7.685
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -10.180
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -11.378
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: 3, replica: 6
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -99.233473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.233473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.233473 (E_RNA)
where:
Base-Base interactions energy: -56.856
where: short stacking energy: -31.751
Base-Backbone interact. energy: -0.637
local terms energy: -41.740759
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -10.526
flat angles C4'-P-C4' energy: -8.572
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -4.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -81.700840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.700840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.700840 (E_RNA)
where:
Base-Base interactions energy: -37.173
where: short stacking energy: -20.049
Base-Backbone interact. energy: -0.025
local terms energy: -44.502488
where:
bonds (distance) C4'-P energy: -10.003
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -6.980
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: 5, replica: 9
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -72.261013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.261013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.261013 (E_RNA)
where:
Base-Base interactions energy: -32.315
where: short stacking energy: -18.205
Base-Backbone interact. energy: -0.046
local terms energy: -39.899559
where:
bonds (distance) C4'-P energy: -9.754
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -9.709
flat angles P-C4'-P energy: -6.318
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: 6, replica: 1
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -74.687912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.687912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.687912 (E_RNA)
where:
Base-Base interactions energy: -27.402
where: short stacking energy: -25.053
Base-Backbone interact. energy: -0.155
local terms energy: -47.130341
where:
bonds (distance) C4'-P energy: -8.885
bonds (distance) P-C4' energy: -10.162
flat angles C4'-P-C4' energy: -10.156
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -9.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -66.909473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.909473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.909473 (E_RNA)
where:
Base-Base interactions energy: -29.651
where: short stacking energy: -17.944
Base-Backbone interact. energy: 0.836
local terms energy: -38.094378
where:
bonds (distance) C4'-P energy: -3.444
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -2.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -63.158482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.158482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.158482 (E_RNA)
where:
Base-Base interactions energy: -21.588
where: short stacking energy: -17.989
Base-Backbone interact. energy: -0.135
local terms energy: -41.434961
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -4.417
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: 9, replica: 2
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -53.106076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.106076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.106076 (E_RNA)
where:
Base-Base interactions energy: -15.215
where: short stacking energy: -15.215
Base-Backbone interact. energy: -0.055
local terms energy: -37.835256
where:
bonds (distance) C4'-P energy: -9.995
bonds (distance) P-C4' energy: -9.443
flat angles C4'-P-C4' energy: -10.033
flat angles P-C4'-P energy: -5.771
tors. eta vs tors. theta energy: -2.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -56.459982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.459982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.459982 (E_RNA)
where:
Base-Base interactions energy: -20.070
where: short stacking energy: -12.406
Base-Backbone interact. energy: -0.005
local terms energy: -36.385125
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -10.788
flat angles C4'-P-C4' energy: -3.104
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -3.855
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)
replica 3 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 16424995
moves confirmed later: 19822622
all moves confirmed: 36247617
percent of confirmed moves: 4.530952
current total energy: -96.863041
recalc. total energy: -96.863041
replica 5 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 16578823
moves confirmed later: 20032369
all moves confirmed: 36611192
percent of confirmed moves: 4.576399
current total energy: -82.394119
recalc. total energy: -82.394119
replica 10 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 16217990
moves confirmed later: 19544119
all moves confirmed: 35762109
percent of confirmed moves: 4.470264
current total energy: -45.821661
recalc. total energy: -45.821661
replica 6 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 15615642
moves confirmed later: 18728583
all moves confirmed: 34344225
percent of confirmed moves: 4.293028
current total energy: -62.407568
recalc. total energy: -62.407568
replica 1 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 17010182
moves confirmed later: 20630569
all moves confirmed: 37640751
percent of confirmed moves: 4.705094
current total energy: -39.207855
recalc. total energy: -39.207855
replica 9 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 16392442
moves confirmed later: 19735900
all moves confirmed: 36128342
percent of confirmed moves: 4.516043
current total energy: -27.210603
recalc. total energy: -27.210603
replica 8 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 14575802
moves confirmed later: 17291919
all moves confirmed: 31867721
percent of confirmed moves: 3.983465
current total energy: -28.937539
recalc. total energy: -28.937539
replica 7 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 16419566
moves confirmed later: 19799820
all moves confirmed: 36219386
percent of confirmed moves: 4.527423
current total energy: -36.867455
recalc. total energy: -36.867455
replica 4 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 17076318
moves confirmed later: 20712205
all moves confirmed: 37788523
percent of confirmed moves: 4.723565
current total energy: -20.017999
recalc. total energy: -20.017999
replica 2 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 16353160
moves confirmed later: 19715808
all moves confirmed: 36068968
percent of confirmed moves: 4.508621
current total energy: -33.923073
recalc. total energy: -33.923073
out arg RESULTS//1/SixPentetWT-9ccbfc87_01
Time of doing 8000000 iterations: 3211.568 seconds